REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2rfo_1_B DATA FIRST_RESID 206 DATA SEQUENCE NILREKFENY ARIVFQFNNS RQANGNFDIA NEFISILSSA NGTRNAQLLE DATA SEQUENCE SWKILESMKS KDINIVEVGK QYLEQQFLQY TDNLYKKNMN EGLATNVNKI DATA SEQUENCE KSFIDTKLKK ADKSWKISNL TVINGVPIWA LIFYLLRAGL IKEALQVLVE DATA SEQUENCE NKANIKKVEQ SFLTYFKAYA SSKDHGLPVE YSTKLHTEYN QHIKSSLDGD DATA SEQUENCE PYRLAVYKLI GRCDLSRKNI PAVTLSIEDW LWMHLMLIKE KDAENDPVYE DATA SEQUENCE RYSLEDFQNI IISYGPSRFS NYYLQTLLLS GLYGLAIDYT YTFSEMDAVH DATA SEQUENCE LAIGLASLKL FXXXXXXXXX XXXKRDIRFA NILANYTKSF RYSDPRVAVE DATA SEQUENCE YLVLITLNEG PTDVELCHEA LRELVLETKE FTVLLGKIGR DGARIPGVIE DATA SEQUENCE ERQPLLHVRD EKEFLHTITE QAARRADEDG RIYDSILLYQ LAEEYDIVIT DATA SEQUENCE LVNSLLSDTL SASDLDQPLV GPDDNSETNP VLLARRMASI YFDNAGISRQ DATA SEQUENCE IHVKNKEICM LLLNISSIRE LYFNKQWQET LSQMELLDLL PFSDELSARK DATA SEQUENCE KAQDFSNLDD NIVKNIPNLL IITLSCISNM IHILNXXXXX XXTKGQQIDS DATA SEQUENCE LKNVARQCMI YAGMIQYRMP RETYSTLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 206 N HA 0.000 nan 4.740 nan 0.000 0.220 206 N C 0.000 175.516 175.510 0.009 0.000 1.280 206 N CA 0.000 53.055 53.050 0.008 0.000 0.885 206 N CB 0.000 38.489 38.487 0.003 0.000 1.341 207 I N -3.442 117.134 120.570 0.011 0.000 5.451 207 I HA 0.282 4.452 4.170 -0.000 0.000 0.324 207 I C 1.064 177.184 176.117 0.006 0.000 0.941 207 I CA -0.132 61.174 61.300 0.010 0.000 1.700 207 I CB -0.416 37.592 38.000 0.012 0.000 2.427 207 I HN -0.038 nan 8.210 nan 0.000 0.804 208 L N 1.626 122.853 121.223 0.007 0.000 2.109 208 L HA 0.216 4.556 4.340 -0.000 0.000 0.207 208 L C 2.590 179.479 176.870 0.031 0.000 1.086 208 L CA 1.726 56.569 54.840 0.006 0.000 0.760 208 L CB -0.711 41.354 42.059 0.011 0.000 0.910 208 L HN 0.280 nan 8.230 nan 0.000 0.437 209 R N -0.015 120.503 120.500 0.031 0.000 2.070 209 R HA -0.149 4.191 4.340 -0.000 0.000 0.233 209 R C 2.179 178.547 176.300 0.114 0.000 1.137 209 R CA 1.542 57.682 56.100 0.068 0.000 0.945 209 R CB -0.565 29.753 30.300 0.030 0.000 0.845 209 R HN 0.450 nan 8.270 nan 0.000 0.430 210 E N 0.801 121.034 120.200 0.054 0.000 2.086 210 E HA -0.266 4.084 4.350 -0.000 0.000 0.200 210 E C 1.942 178.548 176.600 0.011 0.000 1.012 210 E CA 1.612 58.032 56.400 0.033 0.000 0.812 210 E CB -0.108 29.601 29.700 0.016 0.000 0.743 210 E HN 0.228 nan 8.360 nan 0.000 0.453 211 K N -0.152 120.234 120.400 -0.023 0.000 2.009 211 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 211 K C 2.193 178.690 176.600 -0.171 0.000 1.049 211 K CA 1.588 57.787 56.287 -0.147 0.000 0.929 211 K CB -0.517 31.851 32.500 -0.220 0.000 0.714 211 K HN 0.073 nan 8.250 nan 0.000 0.440 212 F N 1.832 121.672 119.950 -0.183 0.000 2.115 212 F HA -0.254 4.273 4.527 -0.000 0.000 0.300 212 F C 1.745 177.517 175.800 -0.046 0.000 1.092 212 F CA 1.946 59.870 58.000 -0.128 0.000 1.245 212 F CB 0.026 38.934 39.000 -0.154 0.000 0.995 212 F HN 0.195 nan 8.300 nan 0.000 0.481 213 E N -0.105 120.020 120.200 -0.124 0.000 2.112 213 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 213 E C 1.866 178.392 176.600 -0.124 0.000 0.979 213 E CA 1.128 57.418 56.400 -0.184 0.000 0.814 213 E CB -0.283 29.409 29.700 -0.012 0.000 0.762 213 E HN 0.626 nan 8.360 nan 0.000 0.460 214 N N -0.128 118.551 118.700 -0.036 0.000 2.120 214 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 214 N C 1.572 177.127 175.510 0.074 0.000 1.024 214 N CA 0.802 53.864 53.050 0.021 0.000 0.852 214 N CB -0.069 38.456 38.487 0.065 0.000 1.003 214 N HN 0.099 nan 8.380 nan 0.000 0.424 215 Y N 1.330 121.529 120.300 -0.168 0.000 2.181 215 Y HA -0.059 4.491 4.550 -0.000 0.000 0.288 215 Y C 2.480 178.414 175.900 0.057 0.000 1.146 215 Y CA 0.524 58.538 58.100 -0.143 0.000 1.164 215 Y CB -0.941 37.335 38.460 -0.306 0.000 0.982 215 Y HN 0.061 nan 8.280 nan 0.000 0.515 216 A N 0.165 123.058 122.820 0.121 0.000 1.902 216 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 216 A C 2.386 180.029 177.584 0.099 0.000 1.181 216 A CA 1.630 53.739 52.037 0.121 0.000 0.623 216 A CB -0.575 18.280 19.000 -0.242 0.000 0.818 216 A HN 0.385 nan 8.150 nan 0.000 0.443 217 R N -0.712 119.799 120.500 0.019 0.000 2.081 217 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 217 R C 1.921 178.279 176.300 0.097 0.000 1.131 217 R CA 1.440 57.564 56.100 0.040 0.000 0.960 217 R CB -0.451 29.835 30.300 -0.022 0.000 0.856 217 R HN 0.450 nan 8.270 nan 0.000 0.436 218 I N 0.318 120.891 120.570 0.004 0.000 2.142 218 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 218 I C 2.429 178.614 176.117 0.113 0.000 1.078 218 I CA 1.232 62.513 61.300 -0.031 0.000 1.343 218 I CB -1.149 36.575 38.000 -0.461 0.000 1.046 218 I HN -0.060 nan 8.210 nan 0.000 0.405 219 V N 0.662 120.656 119.914 0.134 0.000 2.332 219 V HA -0.305 3.814 4.120 -0.000 0.000 0.248 219 V C 2.419 178.553 176.094 0.067 0.000 1.055 219 V CA 1.795 64.160 62.300 0.109 0.000 1.038 219 V CB -0.858 30.915 31.823 -0.084 0.000 0.651 219 V HN 0.299 nan 8.190 nan 0.000 0.450 220 F N 0.918 120.841 119.950 -0.044 0.000 2.171 220 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 220 F C 2.541 178.281 175.800 -0.100 0.000 1.090 220 F CA 1.646 59.609 58.000 -0.062 0.000 1.293 220 F CB -0.111 38.867 39.000 -0.037 0.000 1.013 220 F HN 0.138 nan 8.300 nan 0.000 0.486 221 Q N -0.174 119.650 119.800 0.040 0.000 2.167 221 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 221 Q C 2.221 177.826 176.000 -0.659 0.000 0.970 221 Q CA 1.641 57.337 55.803 -0.179 0.000 0.855 221 Q CB -1.207 27.599 28.738 0.113 0.000 0.911 221 Q HN 0.601 nan 8.270 nan 0.000 0.438 222 F N 2.237 121.748 119.950 -0.732 0.000 2.051 222 F HA -0.260 4.267 4.527 -0.000 0.000 0.296 222 F C 1.863 177.347 175.800 -0.526 0.000 1.122 222 F CA 1.140 58.668 58.000 -0.785 0.000 1.201 222 F CB -0.033 38.793 39.000 -0.289 0.000 0.978 222 F HN 0.104 nan 8.300 nan 0.000 0.472 223 N N 1.148 119.545 118.700 -0.505 0.000 2.060 223 N HA -0.250 4.490 4.740 -0.000 0.000 0.195 223 N C 1.356 176.541 175.510 -0.541 0.000 1.028 223 N CA 1.689 54.416 53.050 -0.539 0.000 0.861 223 N CB -0.955 37.295 38.487 -0.395 0.000 1.029 223 N HN 0.365 nan 8.380 nan 0.000 0.428 224 N N 0.539 118.894 118.700 -0.575 0.000 2.104 224 N HA -0.123 4.617 4.740 -0.000 0.000 0.190 224 N C 1.831 177.118 175.510 -0.371 0.000 1.024 224 N CA 1.491 54.267 53.050 -0.457 0.000 0.853 224 N CB -0.575 37.656 38.487 -0.427 0.000 1.008 224 N HN 0.404 nan 8.380 nan 0.000 0.424 225 S N 0.432 115.856 115.700 -0.459 0.000 2.453 225 S HA 0.033 4.503 4.470 -0.000 0.000 0.231 225 S C 1.803 176.225 174.600 -0.297 0.000 1.005 225 S CA 0.265 58.271 58.200 -0.323 0.000 0.949 225 S CB -0.097 62.919 63.200 -0.307 0.000 0.774 225 S HN 0.187 nan 8.310 nan 0.000 0.510 226 R N 1.363 121.593 120.500 -0.450 0.000 2.139 226 R HA -0.100 4.240 4.340 -0.000 0.000 0.243 226 R C 2.368 178.530 176.300 -0.229 0.000 1.145 226 R CA 2.021 57.898 56.100 -0.371 0.000 0.976 226 R CB -0.311 29.717 30.300 -0.454 0.000 0.866 226 R HN 0.699 nan 8.270 nan 0.000 0.449 227 Q N -1.296 118.374 119.800 -0.217 0.000 2.384 227 Q HA 0.193 4.533 4.340 -0.000 0.000 0.207 227 Q C 1.411 177.344 176.000 -0.112 0.000 0.904 227 Q CA 0.568 56.278 55.803 -0.155 0.000 0.933 227 Q CB 0.776 29.421 28.738 -0.156 0.000 1.077 227 Q HN 0.259 nan 8.270 nan 0.000 0.522 228 A N 1.272 124.028 122.820 -0.107 0.000 2.195 228 A HA 0.027 4.347 4.320 -0.000 0.000 0.210 228 A C 0.553 178.115 177.584 -0.037 0.000 1.165 228 A CA -0.047 51.949 52.037 -0.067 0.000 0.806 228 A CB 0.155 19.117 19.000 -0.063 0.000 0.847 228 A HN 0.350 nan 8.150 nan 0.000 0.482 229 N N -1.034 117.645 118.700 -0.035 0.000 2.776 229 N HA -0.149 4.591 4.740 -0.000 0.000 0.250 229 N C 0.634 176.148 175.510 0.008 0.000 1.112 229 N CA 0.810 53.852 53.050 -0.014 0.000 0.733 229 N CB -1.371 37.107 38.487 -0.016 0.000 1.097 229 N HN 0.648 nan 8.380 nan 0.000 0.558 230 G N 0.087 108.900 108.800 0.022 0.000 2.945 230 G HA2 0.377 4.337 3.960 -0.000 0.000 0.156 230 G HA3 0.377 4.337 3.960 -0.000 0.000 0.156 230 G C 0.230 175.176 174.900 0.076 0.000 1.375 230 G CA 0.187 45.318 45.100 0.050 0.000 1.039 230 G HN 0.218 nan 8.290 nan 0.000 0.586 231 N N -0.898 117.866 118.700 0.106 0.000 2.687 231 N HA 0.199 4.939 4.740 -0.000 0.000 0.275 231 N C -1.355 174.250 175.510 0.158 0.000 1.789 231 N CA -0.675 52.443 53.050 0.114 0.000 0.806 231 N CB 0.052 38.579 38.487 0.067 0.000 1.256 231 N HN 0.221 nan 8.380 nan 0.000 0.500 232 F N 0.939 120.927 119.950 0.062 0.000 2.496 232 F HA 0.264 4.791 4.527 -0.000 0.000 0.344 232 F C 0.518 176.373 175.800 0.092 0.000 1.155 232 F CA 0.269 58.319 58.000 0.082 0.000 1.302 232 F CB 0.808 39.890 39.000 0.137 0.000 1.159 232 F HN 0.145 nan 8.300 nan 0.000 0.595 233 D N 6.050 126.197 120.400 -0.420 0.000 2.363 233 D HA 0.096 4.736 4.640 -0.000 0.000 0.258 233 D C 0.815 176.915 176.300 -0.332 0.000 1.259 233 D CA -0.222 53.654 54.000 -0.207 0.000 0.921 233 D CB 0.414 41.114 40.800 -0.166 0.000 1.201 233 D HN 0.675 nan 8.370 nan 0.000 0.524 234 I N 2.305 122.847 120.570 -0.048 0.000 2.194 234 I HA -0.302 3.868 4.170 -0.000 0.000 0.246 234 I C 1.913 178.026 176.117 -0.007 0.000 1.093 234 I CA 1.569 62.883 61.300 0.023 0.000 1.355 234 I CB 0.288 38.315 38.000 0.045 0.000 1.046 234 I HN 0.423 nan 8.210 nan 0.000 0.413 235 A N 0.357 123.233 122.820 0.093 0.000 1.940 235 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 235 A C 2.145 179.720 177.584 -0.014 0.000 1.176 235 A CA 2.071 54.221 52.037 0.189 0.000 0.631 235 A CB -0.970 18.230 19.000 0.334 0.000 0.814 235 A HN 0.618 nan 8.150 nan 0.000 0.446 236 N N -0.820 117.830 118.700 -0.083 0.000 2.309 236 N HA -0.153 4.587 4.740 -0.000 0.000 0.182 236 N C 1.700 177.082 175.510 -0.213 0.000 1.018 236 N CA 1.386 54.363 53.050 -0.120 0.000 0.876 236 N CB 0.013 38.419 38.487 -0.134 0.000 0.972 236 N HN 0.548 nan 8.380 nan 0.000 0.434 237 E N -0.034 119.969 120.200 -0.328 0.000 2.028 237 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 237 E C 1.613 177.896 176.600 -0.528 0.000 0.988 237 E CA 1.192 57.338 56.400 -0.424 0.000 0.799 237 E CB -0.243 29.156 29.700 -0.503 0.000 0.755 237 E HN 0.299 nan 8.360 nan 0.000 0.447 238 F N 0.189 119.764 119.950 -0.625 0.000 2.161 238 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 238 F C 2.125 177.600 175.800 -0.542 0.000 1.089 238 F CA 0.863 58.354 58.000 -0.848 0.000 1.282 238 F CB -0.296 37.587 39.000 -1.861 0.000 1.010 238 F HN 0.049 nan 8.300 nan 0.000 0.485 239 I N -1.066 119.376 120.570 -0.214 0.000 2.315 239 I HA -0.357 3.813 4.170 -0.000 0.000 0.251 239 I C 2.579 178.664 176.117 -0.054 0.000 1.125 239 I CA 1.413 62.685 61.300 -0.046 0.000 1.392 239 I CB -0.401 37.613 38.000 0.023 0.000 1.065 239 I HN 0.119 nan 8.210 nan 0.000 0.424 240 S N 0.670 116.298 115.700 -0.120 0.000 2.377 240 S HA -0.060 4.410 4.470 -0.000 0.000 0.223 240 S C 1.984 176.539 174.600 -0.075 0.000 1.030 240 S CA 0.946 59.089 58.200 -0.095 0.000 0.970 240 S CB -0.162 62.961 63.200 -0.128 0.000 0.830 240 S HN 0.459 nan 8.310 nan 0.000 0.473 241 I N -0.081 120.423 120.570 -0.110 0.000 2.252 241 I HA -0.058 4.112 4.170 -0.000 0.000 0.245 241 I C 2.059 178.189 176.117 0.022 0.000 1.102 241 I CA 1.236 62.509 61.300 -0.045 0.000 1.385 241 I CB -0.709 37.265 38.000 -0.043 0.000 1.064 241 I HN 0.189 nan 8.210 nan 0.000 0.414 242 L N 0.880 122.124 121.223 0.036 0.000 2.291 242 L HA -0.080 4.260 4.340 -0.000 0.000 0.214 242 L C 2.709 179.630 176.870 0.084 0.000 1.120 242 L CA 0.661 55.559 54.840 0.097 0.000 0.799 242 L CB -0.450 41.693 42.059 0.140 0.000 0.925 242 L HN 0.215 nan 8.230 nan 0.000 0.446 243 S N -0.463 115.271 115.700 0.055 0.000 2.420 243 S HA -0.186 4.284 4.470 -0.000 0.000 0.237 243 S C 2.108 176.737 174.600 0.049 0.000 1.023 243 S CA 1.709 59.940 58.200 0.052 0.000 0.991 243 S CB -0.083 63.136 63.200 0.032 0.000 0.792 243 S HN 0.539 nan 8.310 nan 0.000 0.488 244 S N 1.440 117.166 115.700 0.043 0.000 2.387 244 S HA 0.334 4.804 4.470 -0.000 0.000 0.221 244 S C 1.032 175.660 174.600 0.047 0.000 1.041 244 S CA 0.265 58.487 58.200 0.038 0.000 0.959 244 S CB -0.362 62.855 63.200 0.028 0.000 0.843 244 S HN 0.561 nan 8.310 nan 0.000 0.488 245 A N 4.371 127.227 122.820 0.059 0.000 2.566 245 A HA 0.305 4.625 4.320 -0.000 0.000 0.245 245 A C 0.664 178.287 177.584 0.065 0.000 1.056 245 A CA -0.418 51.658 52.037 0.065 0.000 0.757 245 A CB -0.243 18.808 19.000 0.085 0.000 0.979 245 A HN 0.577 nan 8.150 nan 0.000 0.508 246 N N 1.813 120.545 118.700 0.054 0.000 2.476 246 N HA 0.656 5.396 4.740 -0.000 0.000 0.287 246 N C 0.213 175.754 175.510 0.052 0.000 1.262 246 N CA 0.280 53.361 53.050 0.052 0.000 0.980 246 N CB 0.395 38.907 38.487 0.043 0.000 1.163 246 N HN 1.878 nan 8.380 nan 0.000 0.592 247 G N -2.301 106.527 108.800 0.047 0.000 2.712 247 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 247 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 247 G C 0.355 175.278 174.900 0.039 0.000 1.181 247 G CA 0.027 45.150 45.100 0.038 0.000 0.762 247 G HN 0.781 nan 8.290 nan 0.000 0.641 248 T N 0.036 114.607 114.554 0.028 0.000 2.720 248 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 248 T C 2.519 177.224 174.700 0.008 0.000 1.037 248 T CA 2.527 64.644 62.100 0.030 0.000 1.144 248 T CB -0.132 68.751 68.868 0.025 0.000 0.864 248 T HN 0.666 nan 8.240 nan 0.000 0.444 249 R N 0.802 121.275 120.500 -0.046 0.000 2.148 249 R HA 0.166 4.506 4.340 -0.000 0.000 0.223 249 R C 2.061 178.354 176.300 -0.011 0.000 1.088 249 R CA 1.547 57.569 56.100 -0.131 0.000 0.985 249 R CB -0.559 29.570 30.300 -0.284 0.000 0.880 249 R HN 0.521 nan 8.270 nan 0.000 0.451 250 N N -0.513 118.216 118.700 0.048 0.000 2.270 250 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 250 N C 1.462 177.048 175.510 0.127 0.000 1.016 250 N CA 0.982 54.098 53.050 0.110 0.000 0.870 250 N CB -0.048 38.502 38.487 0.105 0.000 0.979 250 N HN 0.279 nan 8.380 nan 0.000 0.431 251 A N 1.012 123.894 122.820 0.104 0.000 1.877 251 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 251 A C 2.101 179.772 177.584 0.145 0.000 1.186 251 A CA 1.432 53.544 52.037 0.126 0.000 0.620 251 A CB -0.813 18.258 19.000 0.117 0.000 0.822 251 A HN 0.334 nan 8.150 nan 0.000 0.443 252 Q N -0.289 119.582 119.800 0.119 0.000 1.985 252 Q HA -0.214 4.126 4.340 -0.000 0.000 0.207 252 Q C 2.012 178.092 176.000 0.135 0.000 0.996 252 Q CA 2.115 57.986 55.803 0.114 0.000 0.851 252 Q CB -0.388 28.395 28.738 0.075 0.000 0.921 252 Q HN 0.626 nan 8.270 nan 0.000 0.418 253 L N 0.146 121.476 121.223 0.178 0.000 1.991 253 L HA -0.293 4.047 4.340 -0.000 0.000 0.221 253 L C 2.598 179.668 176.870 0.333 0.000 1.079 253 L CA 1.453 56.452 54.840 0.264 0.000 0.778 253 L CB -0.827 41.432 42.059 0.332 0.000 0.893 253 L HN 0.428 nan 8.230 nan 0.000 0.437 254 L N -0.137 121.256 121.223 0.283 0.000 2.013 254 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 254 L C 2.442 179.476 176.870 0.273 0.000 1.073 254 L CA 2.119 57.126 54.840 0.279 0.000 0.753 254 L CB -0.650 41.527 42.059 0.196 0.000 0.890 254 L HN 0.326 nan 8.230 nan 0.000 0.432 255 E N -1.160 119.168 120.200 0.214 0.000 2.072 255 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 255 E C 2.044 178.706 176.600 0.103 0.000 0.982 255 E CA 1.061 57.581 56.400 0.200 0.000 0.803 255 E CB -0.006 29.829 29.700 0.225 0.000 0.755 255 E HN 0.619 nan 8.360 nan 0.000 0.453 256 S N 0.169 115.883 115.700 0.022 0.000 2.400 256 S HA -0.174 4.296 4.470 -0.000 0.000 0.232 256 S C 1.293 175.791 174.600 -0.170 0.000 1.025 256 S CA 1.280 59.391 58.200 -0.149 0.000 0.993 256 S CB -0.412 62.665 63.200 -0.206 0.000 0.808 256 S HN 0.452 nan 8.310 nan 0.000 0.478 257 W N 1.795 123.080 121.300 -0.025 0.000 2.436 257 W HA 0.081 4.741 4.660 -0.000 0.000 0.284 257 W C 2.250 178.768 176.519 -0.002 0.000 1.225 257 W CA 0.293 57.626 57.345 -0.021 0.000 1.271 257 W CB -0.048 29.424 29.460 0.019 0.000 1.114 257 W HN 0.196 nan 8.180 nan 0.000 0.559 258 K N -0.072 120.477 120.400 0.250 0.000 2.288 258 K HA -0.091 4.229 4.320 -0.000 0.000 0.201 258 K C 1.637 178.308 176.600 0.118 0.000 1.048 258 K CA 0.925 57.346 56.287 0.222 0.000 0.956 258 K CB -0.253 32.424 32.500 0.295 0.000 0.746 258 K HN 0.239 nan 8.250 nan 0.000 0.461 259 I N 0.501 120.991 120.570 -0.132 0.000 2.162 259 I HA -0.271 3.899 4.170 -0.000 0.000 0.238 259 I C 1.924 177.958 176.117 -0.138 0.000 1.076 259 I CA 0.871 61.925 61.300 -0.409 0.000 1.353 259 I CB -0.114 37.539 38.000 -0.577 0.000 1.063 259 I HN 0.028 nan 8.210 nan 0.000 0.408 260 L N 0.950 122.109 121.223 -0.106 0.000 2.043 260 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 260 L C 2.510 179.406 176.870 0.044 0.000 1.075 260 L CA 2.207 57.012 54.840 -0.058 0.000 0.752 260 L CB -0.808 41.175 42.059 -0.127 0.000 0.891 260 L HN 0.393 nan 8.230 nan 0.000 0.432 261 E N -1.113 119.156 120.200 0.115 0.000 2.208 261 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 261 E C 2.001 178.666 176.600 0.109 0.000 0.988 261 E CA 1.262 57.739 56.400 0.129 0.000 0.828 261 E CB -0.409 29.384 29.700 0.156 0.000 0.763 261 E HN 0.477 nan 8.360 nan 0.000 0.478 262 S N -0.222 115.553 115.700 0.125 0.000 2.496 262 S HA 0.026 4.496 4.470 -0.000 0.000 0.224 262 S C 1.929 176.597 174.600 0.113 0.000 0.996 262 S CA 0.506 58.795 58.200 0.148 0.000 0.927 262 S CB -0.313 63.044 63.200 0.262 0.000 0.774 262 S HN 0.270 nan 8.310 nan 0.000 0.524 263 M N 1.188 120.835 119.600 0.078 0.000 2.394 263 M HA 0.114 4.594 4.480 -0.000 0.000 0.264 263 M C 1.151 177.482 176.300 0.052 0.000 1.073 263 M CA 0.565 55.902 55.300 0.061 0.000 1.111 263 M CB -0.339 32.279 32.600 0.031 0.000 1.401 263 M HN 0.310 nan 8.290 nan 0.000 0.448 264 K N 1.039 121.472 120.400 0.055 0.000 2.440 264 K HA -0.050 4.270 4.320 -0.000 0.000 0.270 264 K C 0.295 176.924 176.600 0.050 0.000 0.980 264 K CA 0.465 56.783 56.287 0.051 0.000 0.953 264 K CB 0.409 32.945 32.500 0.059 0.000 0.925 264 K HN 0.083 nan 8.250 nan 0.000 0.497 265 S N 1.122 116.849 115.700 0.045 0.000 3.549 265 S HA -0.177 4.293 4.470 -0.000 0.000 0.366 265 S C -0.987 173.637 174.600 0.040 0.000 1.012 265 S CA 1.199 59.424 58.200 0.041 0.000 1.141 265 S CB -1.085 62.139 63.200 0.041 0.000 0.910 265 S HN 0.611 nan 8.310 nan 0.000 0.471 266 K N 0.799 121.223 120.400 0.040 0.000 2.375 266 K HA 0.284 4.604 4.320 -0.000 0.000 0.249 266 K C -0.861 175.761 176.600 0.036 0.000 0.942 266 K CA -1.079 55.233 56.287 0.041 0.000 0.806 266 K CB 0.966 33.497 32.500 0.052 0.000 1.227 266 K HN 0.032 nan 8.250 nan 0.000 0.430 267 D N 2.367 122.787 120.400 0.034 0.000 2.451 267 D HA -0.056 4.584 4.640 -0.000 0.000 0.254 267 D C -0.069 176.252 176.300 0.035 0.000 1.204 267 D CA 0.301 54.319 54.000 0.030 0.000 0.896 267 D CB 0.444 41.261 40.800 0.028 0.000 1.136 267 D HN 0.259 nan 8.370 nan 0.000 0.499 268 I N 3.615 124.205 120.570 0.032 0.000 2.352 268 I HA -0.064 4.106 4.170 -0.000 0.000 0.303 268 I C -0.028 176.117 176.117 0.046 0.000 1.194 268 I CA -0.110 61.214 61.300 0.040 0.000 1.518 268 I CB -0.687 37.331 38.000 0.031 0.000 1.489 268 I HN 0.148 nan 8.210 nan 0.000 0.702 269 N N 6.200 124.930 118.700 0.051 0.000 2.518 269 N HA 0.266 5.006 4.740 -0.000 0.000 0.254 269 N C 0.813 176.358 175.510 0.058 0.000 0.979 269 N CA -0.421 52.657 53.050 0.047 0.000 0.930 269 N CB 0.710 39.222 38.487 0.043 0.000 1.152 269 N HN 0.446 nan 8.380 nan 0.000 0.505 270 I N 2.240 122.842 120.570 0.053 0.000 2.118 270 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 270 I C 2.156 178.309 176.117 0.061 0.000 1.070 270 I CA 1.493 62.826 61.300 0.056 0.000 1.327 270 I CB -0.123 37.885 38.000 0.013 0.000 1.034 270 I HN 0.530 nan 8.210 nan 0.000 0.405 271 V N 0.066 120.008 119.914 0.048 0.000 2.427 271 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 271 V C 2.392 178.533 176.094 0.078 0.000 1.051 271 V CA 1.754 64.087 62.300 0.055 0.000 1.048 271 V CB -0.406 31.426 31.823 0.015 0.000 0.666 271 V HN 0.343 nan 8.190 nan 0.000 0.456 272 E N 0.612 120.863 120.200 0.085 0.000 2.031 272 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 272 E C 2.386 179.053 176.600 0.112 0.000 0.994 272 E CA 1.806 58.260 56.400 0.090 0.000 0.800 272 E CB -0.811 28.936 29.700 0.079 0.000 0.752 272 E HN 0.591 nan 8.360 nan 0.000 0.447 273 V N 1.013 120.993 119.914 0.110 0.000 2.282 273 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 273 V C 2.405 178.608 176.094 0.182 0.000 1.057 273 V CA 2.140 64.519 62.300 0.132 0.000 1.032 273 V CB -1.197 30.692 31.823 0.110 0.000 0.645 273 V HN 0.352 nan 8.190 nan 0.000 0.447 274 G N -0.844 108.059 108.800 0.172 0.000 2.402 274 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 274 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 274 G C 1.660 176.738 174.900 0.296 0.000 1.162 274 G CA 0.973 46.208 45.100 0.225 0.000 0.777 274 G HN 0.468 nan 8.290 nan 0.000 0.539 275 K N -0.081 120.465 120.400 0.243 0.000 2.026 275 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 275 K C 2.722 179.501 176.600 0.299 0.000 1.048 275 K CA 1.423 57.895 56.287 0.308 0.000 0.929 275 K CB -0.145 32.471 32.500 0.194 0.000 0.713 275 K HN 0.340 nan 8.250 nan 0.000 0.439 276 Q N -1.065 118.867 119.800 0.221 0.000 2.096 276 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 276 Q C 1.890 177.997 176.000 0.180 0.000 0.982 276 Q CA 1.912 57.821 55.803 0.176 0.000 0.850 276 Q CB -0.193 28.632 28.738 0.145 0.000 0.901 276 Q HN 0.431 nan 8.270 nan 0.000 0.422 277 Y N 0.947 121.328 120.300 0.135 0.000 2.114 277 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 277 Y C 1.838 177.825 175.900 0.144 0.000 1.143 277 Y CA 1.442 59.622 58.100 0.132 0.000 1.135 277 Y CB -0.134 38.408 38.460 0.136 0.000 0.980 277 Y HN 0.002 nan 8.280 nan 0.000 0.499 278 L N 0.107 121.429 121.223 0.165 0.000 2.083 278 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 278 L C 2.326 179.150 176.870 -0.076 0.000 1.083 278 L CA 1.694 56.582 54.840 0.081 0.000 0.752 278 L CB -0.559 41.682 42.059 0.303 0.000 0.899 278 L HN 0.316 nan 8.230 nan 0.000 0.433 279 E N -0.461 119.708 120.200 -0.052 0.000 2.051 279 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 279 E C 2.287 178.856 176.600 -0.051 0.000 0.991 279 E CA 0.958 57.297 56.400 -0.102 0.000 0.799 279 E CB -0.009 29.687 29.700 -0.006 0.000 0.748 279 E HN 0.412 nan 8.360 nan 0.000 0.449 280 Q N 0.304 120.057 119.800 -0.078 0.000 2.230 280 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 280 Q C 2.006 177.913 176.000 -0.156 0.000 0.963 280 Q CA 0.950 56.695 55.803 -0.097 0.000 0.866 280 Q CB -0.109 28.582 28.738 -0.078 0.000 0.931 280 Q HN 0.339 nan 8.270 nan 0.000 0.452 281 Q N -0.324 119.316 119.800 -0.267 0.000 2.046 281 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 281 Q C 1.943 177.902 176.000 -0.069 0.000 0.975 281 Q CA 0.961 56.615 55.803 -0.248 0.000 0.836 281 Q CB -0.168 28.331 28.738 -0.398 0.000 0.896 281 Q HN 0.369 nan 8.270 nan 0.000 0.428 282 F N 0.908 120.748 119.950 -0.183 0.000 2.134 282 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 282 F C 2.034 177.769 175.800 -0.109 0.000 1.097 282 F CA 0.886 58.789 58.000 -0.161 0.000 1.264 282 F CB -0.227 38.617 39.000 -0.259 0.000 1.001 282 F HN 0.100 nan 8.300 nan 0.000 0.479 283 L N 0.463 121.567 121.223 -0.197 0.000 2.093 283 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 283 L C 2.088 178.803 176.870 -0.258 0.000 1.085 283 L CA 1.853 56.531 54.840 -0.270 0.000 0.755 283 L CB -0.798 41.206 42.059 -0.092 0.000 0.904 283 L HN 0.367 nan 8.230 nan 0.000 0.435 284 Q N -1.393 118.311 119.800 -0.161 0.000 2.083 284 Q HA -0.260 4.080 4.340 -0.000 0.000 0.198 284 Q C 2.016 177.949 176.000 -0.113 0.000 0.969 284 Q CA 1.908 57.646 55.803 -0.109 0.000 0.838 284 Q CB -0.390 28.316 28.738 -0.054 0.000 0.900 284 Q HN 0.569 nan 8.270 nan 0.000 0.436 285 Y N 1.415 121.568 120.300 -0.244 0.000 2.069 285 Y HA -0.333 4.217 4.550 -0.000 0.000 0.278 285 Y C 2.381 178.109 175.900 -0.286 0.000 1.175 285 Y CA 2.038 59.998 58.100 -0.234 0.000 1.134 285 Y CB -0.500 37.807 38.460 -0.254 0.000 0.965 285 Y HN -0.021 nan 8.280 nan 0.000 0.498 286 T N 0.403 114.617 114.554 -0.568 0.000 2.737 286 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 286 T C 1.582 176.087 174.700 -0.326 0.000 1.040 286 T CA 1.684 63.435 62.100 -0.580 0.000 1.142 286 T CB -0.447 67.993 68.868 -0.713 0.000 0.861 286 T HN 0.522 nan 8.240 nan 0.000 0.456 287 D N 0.560 120.810 120.400 -0.250 0.000 2.084 287 D HA -0.064 4.576 4.640 -0.000 0.000 0.196 287 D C 2.057 178.311 176.300 -0.076 0.000 0.985 287 D CA 0.833 54.757 54.000 -0.128 0.000 0.826 287 D CB -0.178 40.559 40.800 -0.105 0.000 0.978 287 D HN 0.266 nan 8.370 nan 0.000 0.456 288 N N 0.907 119.535 118.700 -0.120 0.000 2.205 288 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 288 N C 1.953 177.392 175.510 -0.118 0.000 1.015 288 N CA 0.260 53.252 53.050 -0.096 0.000 0.862 288 N CB -0.328 38.105 38.487 -0.090 0.000 0.986 288 N HN 0.270 nan 8.380 nan 0.000 0.429 289 L N -0.367 120.733 121.223 -0.204 0.000 2.395 289 L HA -0.004 4.336 4.340 -0.000 0.000 0.218 289 L C 0.095 176.942 176.870 -0.038 0.000 1.130 289 L CA 0.231 54.962 54.840 -0.183 0.000 0.826 289 L CB -0.011 41.843 42.059 -0.342 0.000 0.941 289 L HN 0.079 nan 8.230 nan 0.000 0.451 290 Y N 1.146 121.367 120.300 -0.132 0.000 2.336 290 Y HA 0.209 4.759 4.550 -0.000 0.000 0.335 290 Y C 0.399 176.261 175.900 -0.064 0.000 1.046 290 Y CA -1.326 56.723 58.100 -0.085 0.000 1.198 290 Y CB 0.625 39.037 38.460 -0.080 0.000 1.182 290 Y HN -0.132 nan 8.280 nan 0.000 0.502 291 K N 5.384 125.408 120.400 -0.625 0.000 2.307 291 K HA 0.037 4.357 4.320 -0.000 0.000 0.285 291 K C -0.739 175.449 176.600 -0.686 0.000 1.073 291 K CA -0.014 55.951 56.287 -0.536 0.000 0.996 291 K CB -0.056 32.202 32.500 -0.403 0.000 0.994 291 K HN 0.512 nan 8.250 nan 0.000 0.452 292 K N 4.338 124.563 120.400 -0.291 0.000 2.228 292 K HA 0.050 4.370 4.320 -0.000 0.000 0.284 292 K C -1.026 175.511 176.600 -0.105 0.000 1.088 292 K CA -0.009 56.211 56.287 -0.112 0.000 0.941 292 K CB -0.502 31.994 32.500 -0.007 0.000 1.158 292 K HN 0.794 nan 8.250 nan 0.000 0.438 293 N N 2.667 121.302 118.700 -0.108 0.000 2.370 293 N HA 0.208 4.948 4.740 -0.000 0.000 0.303 293 N C 0.082 175.575 175.510 -0.027 0.000 1.103 293 N CA -0.940 52.065 53.050 -0.076 0.000 0.848 293 N CB 0.984 39.409 38.487 -0.104 0.000 1.235 293 N HN 0.125 nan 8.380 nan 0.000 0.496 294 M N 1.215 120.800 119.600 -0.024 0.000 2.793 294 M HA -0.026 4.454 4.480 -0.000 0.000 0.215 294 M C 1.219 177.515 176.300 -0.006 0.000 1.087 294 M CA 0.129 55.423 55.300 -0.011 0.000 1.033 294 M CB -2.207 30.385 32.600 -0.013 0.000 1.760 294 M HN 0.751 nan 8.290 nan 0.000 0.514 295 N N 2.761 121.458 118.700 -0.005 0.000 2.067 295 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 295 N C 0.627 176.143 175.510 0.010 0.000 1.013 295 N CA 2.302 55.355 53.050 0.005 0.000 0.892 295 N CB 0.317 38.816 38.487 0.021 0.000 1.067 295 N HN 0.690 nan 8.380 nan 0.000 0.641 296 E N -2.855 117.357 120.200 0.019 0.000 2.049 296 E HA 0.501 4.851 4.350 -0.000 0.000 0.196 296 E C -0.262 176.351 176.600 0.023 0.000 1.255 296 E CA -0.665 55.745 56.400 0.016 0.000 0.906 296 E CB -0.266 29.442 29.700 0.013 0.000 1.970 296 E HN 0.213 nan 8.360 nan 0.000 0.509 297 G N 1.121 109.931 108.800 0.017 0.000 2.340 297 G HA2 0.257 4.217 3.960 -0.000 0.000 0.245 297 G HA3 0.257 4.217 3.960 -0.000 0.000 0.245 297 G C 0.179 175.093 174.900 0.024 0.000 1.294 297 G CA -0.509 44.602 45.100 0.018 0.000 0.896 297 G HN 0.338 nan 8.290 nan 0.000 0.522 298 L N 2.365 123.606 121.223 0.029 0.000 2.874 298 L HA 0.012 4.352 4.340 -0.000 0.000 0.270 298 L C 1.617 178.488 176.870 0.002 0.000 1.404 298 L CA -0.365 54.497 54.840 0.036 0.000 1.192 298 L CB -0.339 41.745 42.059 0.042 0.000 1.415 298 L HN 0.635 nan 8.230 nan 0.000 0.443 299 A N 2.208 125.033 122.820 0.008 0.000 3.051 299 A HA 0.260 4.580 4.320 -0.000 0.000 0.275 299 A C 0.984 178.550 177.584 -0.030 0.000 1.900 299 A CA 0.342 52.374 52.037 -0.008 0.000 1.496 299 A CB -0.656 18.345 19.000 0.002 0.000 1.013 299 A HN 0.699 nan 8.150 nan 0.000 0.611 300 T N -2.031 112.487 114.554 -0.061 0.000 2.511 300 T HA 0.464 4.814 4.350 -0.000 0.000 0.209 300 T C 0.971 175.595 174.700 -0.127 0.000 0.805 300 T CA 0.331 62.353 62.100 -0.131 0.000 1.241 300 T CB 0.103 68.851 68.868 -0.200 0.000 1.785 300 T HN 0.367 nan 8.240 nan 0.000 0.492 301 N N -0.312 118.285 118.700 -0.173 0.000 2.978 301 N HA -0.235 4.505 4.740 -0.000 0.000 0.217 301 N C 1.243 176.690 175.510 -0.105 0.000 0.185 301 N CA 2.241 55.209 53.050 -0.137 0.000 3.809 301 N CB -1.585 36.851 38.487 -0.085 0.000 0.981 301 N HN 0.425 nan 8.380 nan 0.000 0.263 302 V N 1.053 120.925 119.914 -0.070 0.000 2.490 302 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 302 V C 1.855 177.922 176.094 -0.043 0.000 1.061 302 V CA 2.064 64.341 62.300 -0.038 0.000 1.064 302 V CB -0.455 31.352 31.823 -0.027 0.000 0.670 302 V HN 0.407 nan 8.190 nan 0.000 0.461 303 N N -0.326 118.321 118.700 -0.088 0.000 2.376 303 N HA -0.047 4.693 4.740 -0.000 0.000 0.177 303 N C 1.762 177.160 175.510 -0.186 0.000 1.024 303 N CA 0.784 53.777 53.050 -0.095 0.000 0.893 303 N CB -0.058 38.376 38.487 -0.087 0.000 0.980 303 N HN 0.523 nan 8.380 nan 0.000 0.439 304 K N 0.906 121.103 120.400 -0.339 0.000 1.984 304 K HA -0.030 4.290 4.320 -0.000 0.000 0.209 304 K C 1.292 177.803 176.600 -0.148 0.000 1.046 304 K CA 0.459 56.457 56.287 -0.481 0.000 0.934 304 K CB -0.297 31.882 32.500 -0.534 0.000 0.717 304 K HN 0.254 nan 8.250 nan 0.000 0.438 305 I N -0.376 120.150 120.570 -0.073 0.000 2.696 305 I HA -0.050 4.120 4.170 -0.000 0.000 0.284 305 I C 0.834 177.028 176.117 0.129 0.000 1.129 305 I CA 0.143 61.499 61.300 0.094 0.000 1.410 305 I CB 1.089 39.173 38.000 0.141 0.000 1.399 305 I HN 0.378 nan 8.210 nan 0.000 0.579 306 K N 2.265 122.796 120.400 0.219 0.000 3.374 306 K HA -0.251 4.069 4.320 -0.000 0.000 0.436 306 K C 1.509 178.187 176.600 0.129 0.000 0.381 306 K CA 1.160 57.538 56.287 0.151 0.000 1.923 306 K CB -1.874 30.683 32.500 0.096 0.000 0.654 306 K HN 0.795 nan 8.250 nan 0.000 0.432 307 S N -0.003 115.774 115.700 0.129 0.000 2.348 307 S HA -0.138 4.332 4.470 -0.000 0.000 0.221 307 S C 1.558 176.244 174.600 0.142 0.000 1.033 307 S CA 1.793 60.088 58.200 0.158 0.000 1.010 307 S CB -0.450 62.918 63.200 0.279 0.000 0.891 307 S HN 0.416 nan 8.310 nan 0.000 0.442 308 F N 1.680 121.638 119.950 0.014 0.000 2.120 308 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 308 F C 1.814 177.626 175.800 0.019 0.000 1.095 308 F CA 1.813 59.805 58.000 -0.014 0.000 1.249 308 F CB -0.381 38.579 39.000 -0.067 0.000 0.995 308 F HN 0.253 nan 8.300 nan 0.000 0.480 309 I N 0.479 120.955 120.570 -0.156 0.000 2.202 309 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 309 I C 2.392 178.490 176.117 -0.031 0.000 1.091 309 I CA 1.866 63.060 61.300 -0.176 0.000 1.368 309 I CB -0.634 37.431 38.000 0.110 0.000 1.058 309 I HN 0.266 nan 8.210 nan 0.000 0.410 310 D N 0.141 120.559 120.400 0.029 0.000 2.224 310 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 310 D C 0.923 177.179 176.300 -0.073 0.000 0.965 310 D CA 0.849 54.855 54.000 0.010 0.000 0.852 310 D CB 0.264 41.080 40.800 0.027 0.000 0.947 310 D HN 0.227 nan 8.370 nan 0.000 0.494 311 T N -0.143 114.363 114.554 -0.079 0.000 2.852 311 T HA 0.129 4.479 4.350 -0.000 0.000 0.281 311 T C 0.858 175.460 174.700 -0.164 0.000 0.993 311 T CA -0.558 61.485 62.100 -0.095 0.000 0.933 311 T CB 1.447 70.283 68.868 -0.053 0.000 1.187 311 T HN -0.116 nan 8.240 nan 0.000 0.559 312 K N -0.866 119.461 120.400 -0.123 0.000 3.539 312 K HA -0.180 4.140 4.320 -0.000 0.000 0.283 312 K C 0.907 177.437 176.600 -0.116 0.000 1.072 312 K CA 1.488 57.691 56.287 -0.141 0.000 1.092 312 K CB -1.466 30.881 32.500 -0.255 0.000 1.433 312 K HN 0.605 nan 8.250 nan 0.000 0.429 313 L N -0.672 120.497 121.223 -0.089 0.000 2.966 313 L HA 0.193 4.533 4.340 -0.000 0.000 0.262 313 L C 0.602 177.568 176.870 0.160 0.000 1.165 313 L CA -0.267 54.627 54.840 0.090 0.000 0.978 313 L CB 0.449 42.615 42.059 0.179 0.000 1.337 313 L HN -0.057 nan 8.230 nan 0.000 0.563 314 K N 0.002 120.392 120.400 -0.016 0.000 2.139 314 K HA 0.417 4.737 4.320 -0.000 0.000 0.243 314 K C 0.052 176.607 176.600 -0.074 0.000 0.983 314 K CA -0.718 55.486 56.287 -0.138 0.000 0.890 314 K CB 2.226 34.545 32.500 -0.302 0.000 1.090 314 K HN -0.227 nan 8.250 nan 0.000 0.445 315 K N 0.383 120.729 120.400 -0.090 0.000 4.055 315 K HA 0.355 4.675 4.320 -0.000 0.000 0.274 315 K C -0.551 176.010 176.600 -0.065 0.000 0.996 315 K CA -0.256 56.002 56.287 -0.048 0.000 1.764 315 K CB -0.021 32.471 32.500 -0.015 0.000 3.206 315 K HN 0.648 nan 8.250 nan 0.000 0.889 316 A N 3.149 125.938 122.820 -0.052 0.000 2.897 316 A HA 0.119 4.439 4.320 -0.000 0.000 0.287 316 A C 0.195 177.734 177.584 -0.075 0.000 1.748 316 A CA 0.967 52.974 52.037 -0.051 0.000 1.397 316 A CB -1.377 17.602 19.000 -0.034 0.000 1.049 316 A HN 0.597 nan 8.150 nan 0.000 0.592 317 D N 0.534 120.880 120.400 -0.089 0.000 3.528 317 D HA -0.277 4.363 4.640 -0.000 0.000 0.163 317 D C 0.850 177.031 176.300 -0.197 0.000 1.069 317 D CA 2.014 55.941 54.000 -0.123 0.000 1.082 317 D CB -0.728 40.012 40.800 -0.100 0.000 0.538 317 D HN 0.517 nan 8.370 nan 0.000 0.579 318 K N -0.208 120.057 120.400 -0.225 0.000 2.664 318 K HA 0.057 4.376 4.320 -0.000 0.000 0.193 318 K C -0.267 176.059 176.600 -0.457 0.000 1.028 318 K CA 0.546 56.609 56.287 -0.373 0.000 1.005 318 K CB -0.278 32.062 32.500 -0.267 0.000 0.815 318 K HN 0.176 nan 8.250 nan 0.000 0.496 319 S N 0.972 116.502 115.700 -0.283 0.000 2.430 319 S HA 0.072 4.542 4.470 -0.000 0.000 0.282 319 S C -0.721 173.782 174.600 -0.161 0.000 1.186 319 S CA -0.500 57.599 58.200 -0.169 0.000 1.060 319 S CB 0.064 63.224 63.200 -0.066 0.000 0.966 319 S HN 0.198 nan 8.310 nan 0.000 0.501 320 W N 3.389 124.702 121.300 0.022 0.000 2.251 320 W HA 0.170 4.830 4.660 -0.000 0.000 0.327 320 W C 1.468 178.007 176.519 0.033 0.000 1.361 320 W CA -0.560 56.805 57.345 0.032 0.000 1.234 320 W CB 0.442 29.930 29.460 0.047 0.000 1.212 320 W HN 0.669 nan 8.180 nan 0.000 0.557 321 K N 2.452 123.034 120.400 0.304 0.000 1.973 321 K HA -0.125 4.195 4.320 -0.000 0.000 0.212 321 K C 0.850 177.560 176.600 0.183 0.000 1.047 321 K CA 0.781 57.183 56.287 0.191 0.000 0.937 321 K CB -0.254 32.342 32.500 0.159 0.000 0.721 321 K HN 0.270 nan 8.250 nan 0.000 0.440 322 I N 2.183 122.877 120.570 0.208 0.000 2.754 322 I HA -0.031 4.139 4.170 -0.000 0.000 0.285 322 I C 0.337 176.519 176.117 0.108 0.000 1.166 322 I CA 0.536 61.914 61.300 0.130 0.000 1.417 322 I CB 0.731 38.821 38.000 0.150 0.000 1.382 322 I HN 0.096 nan 8.210 nan 0.000 0.588 323 S N 5.341 121.065 115.700 0.039 0.000 2.593 323 S HA 0.443 4.913 4.470 -0.000 0.000 0.297 323 S C 0.446 175.026 174.600 -0.032 0.000 1.112 323 S CA -0.655 57.559 58.200 0.023 0.000 1.043 323 S CB 1.676 64.888 63.200 0.020 0.000 1.054 323 S HN 0.690 nan 8.310 nan 0.000 0.516 324 N N -0.447 118.231 118.700 -0.037 0.000 2.952 324 N HA -0.125 4.614 4.740 -0.000 0.000 0.245 324 N C -0.857 174.607 175.510 -0.078 0.000 1.029 324 N CA 0.267 53.284 53.050 -0.056 0.000 0.870 324 N CB -1.492 36.956 38.487 -0.065 0.000 1.121 324 N HN 0.590 nan 8.380 nan 0.000 0.559 325 L N 1.651 122.791 121.223 -0.139 0.000 2.455 325 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 325 L C 0.927 177.735 176.870 -0.103 0.000 1.174 325 L CA 0.460 55.205 54.840 -0.159 0.000 0.869 325 L CB 0.255 42.055 42.059 -0.432 0.000 1.130 325 L HN -0.049 nan 8.230 nan 0.000 0.474 326 T N 3.405 117.978 114.554 0.030 0.000 2.750 326 T HA 0.243 4.593 4.350 -0.000 0.000 0.286 326 T C 0.110 174.814 174.700 0.008 0.000 0.911 326 T CA -0.304 61.840 62.100 0.074 0.000 1.130 326 T CB 0.247 69.257 68.868 0.236 0.000 0.873 326 T HN 0.244 nan 8.240 nan 0.000 0.536 327 V N 6.073 125.978 119.914 -0.015 0.000 2.398 327 V HA 0.599 4.719 4.120 -0.000 0.000 0.286 327 V C 0.009 176.123 176.094 0.033 0.000 1.026 327 V CA -1.016 61.282 62.300 -0.003 0.000 0.868 327 V CB 0.882 32.732 31.823 0.046 0.000 0.982 327 V HN 0.829 nan 8.190 nan 0.000 0.443 328 I N 1.412 121.995 120.570 0.023 0.000 2.582 328 I HA 0.652 4.822 4.170 -0.000 0.000 0.292 328 I C 0.293 176.430 176.117 0.034 0.000 1.066 328 I CA -0.374 60.941 61.300 0.025 0.000 1.053 328 I CB 1.869 39.870 38.000 0.002 0.000 1.241 328 I HN 0.468 nan 8.210 nan 0.000 0.421 329 N N 4.244 122.968 118.700 0.040 0.000 2.710 329 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 329 N C 1.066 176.616 175.510 0.067 0.000 1.059 329 N CA 1.518 54.594 53.050 0.043 0.000 0.720 329 N CB -0.890 37.612 38.487 0.025 0.000 0.983 329 N HN 1.607 nan 8.380 nan 0.000 0.544 330 G N -2.586 106.276 108.800 0.104 0.000 2.179 330 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 330 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 330 G C -0.042 174.989 174.900 0.219 0.000 0.977 330 G CA 0.395 45.591 45.100 0.161 0.000 0.641 330 G HN 0.461 nan 8.290 nan 0.000 0.533 331 V N 2.196 122.196 119.914 0.144 0.000 2.409 331 V HA 0.518 4.638 4.120 -0.000 0.000 0.291 331 V C -1.998 174.117 176.094 0.036 0.000 1.020 331 V CA -1.744 60.626 62.300 0.116 0.000 0.848 331 V CB 2.173 34.032 31.823 0.061 0.000 0.990 331 V HN 0.137 nan 8.190 nan 0.000 0.430 332 P HA 0.187 nan 4.420 nan 0.000 0.271 332 P C 1.027 178.279 177.300 -0.080 0.000 1.380 332 P CA -0.152 62.865 63.100 -0.139 0.000 0.992 332 P CB 0.683 32.177 31.700 -0.343 0.000 1.230 333 I N 1.458 121.966 120.570 -0.104 0.000 2.145 333 I HA -0.214 3.956 4.170 -0.000 0.000 0.244 333 I C 1.854 177.815 176.117 -0.261 0.000 1.075 333 I CA 1.728 62.890 61.300 -0.231 0.000 1.332 333 I CB -1.506 36.269 38.000 -0.377 0.000 1.033 333 I HN 0.348 nan 8.210 nan 0.000 0.410 334 W N 0.737 122.037 121.300 0.001 0.000 2.409 334 W HA -0.005 4.655 4.660 -0.000 0.000 0.299 334 W C 2.805 179.306 176.519 -0.031 0.000 1.203 334 W CA 1.260 58.635 57.345 0.050 0.000 1.298 334 W CB -0.729 28.788 29.460 0.095 0.000 1.127 334 W HN 0.075 nan 8.180 nan 0.000 0.528 335 A N 0.512 123.285 122.820 -0.078 0.000 1.903 335 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 335 A C 2.010 179.571 177.584 -0.040 0.000 1.191 335 A CA 1.801 53.485 52.037 -0.588 0.000 0.638 335 A CB -1.151 17.504 19.000 -0.574 0.000 0.823 335 A HN 0.345 nan 8.150 nan 0.000 0.451 336 L N -0.635 120.618 121.223 0.050 0.000 1.989 336 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 336 L C 2.561 179.510 176.870 0.132 0.000 1.071 336 L CA 1.972 56.885 54.840 0.123 0.000 0.749 336 L CB -0.423 41.663 42.059 0.045 0.000 0.890 336 L HN 0.466 nan 8.230 nan 0.000 0.431 337 I N -0.935 119.691 120.570 0.093 0.000 2.151 337 I HA -0.404 3.766 4.170 -0.000 0.000 0.243 337 I C 2.393 178.654 176.117 0.239 0.000 1.080 337 I CA 1.823 63.207 61.300 0.140 0.000 1.339 337 I CB -0.404 37.687 38.000 0.153 0.000 1.039 337 I HN 0.227 nan 8.210 nan 0.000 0.409 338 F N 0.811 120.821 119.950 0.100 0.000 2.084 338 F HA -0.261 4.266 4.527 -0.000 0.000 0.296 338 F C 2.340 178.077 175.800 -0.106 0.000 1.111 338 F CA 1.560 59.581 58.000 0.034 0.000 1.224 338 F CB -0.544 38.444 39.000 -0.021 0.000 0.991 338 F HN -0.060 nan 8.300 nan 0.000 0.471 339 Y N 0.121 120.505 120.300 0.140 0.000 2.483 339 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 339 Y C 2.174 178.051 175.900 -0.038 0.000 1.143 339 Y CA 0.744 58.823 58.100 -0.034 0.000 1.289 339 Y CB -0.312 38.328 38.460 0.301 0.000 0.983 339 Y HN 0.151 nan 8.280 nan 0.000 0.556 340 L N -1.078 120.219 121.223 0.123 0.000 2.131 340 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 340 L C 2.178 179.067 176.870 0.030 0.000 1.087 340 L CA 0.724 55.617 54.840 0.089 0.000 0.767 340 L CB -0.338 41.776 42.059 0.092 0.000 0.917 340 L HN 0.286 nan 8.230 nan 0.000 0.441 341 L N -0.281 120.942 121.223 0.000 0.000 1.976 341 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 341 L C 1.387 178.129 176.870 -0.214 0.000 1.071 341 L CA 0.550 55.410 54.840 0.033 0.000 0.746 341 L CB -0.106 42.036 42.059 0.139 0.000 0.890 341 L HN 0.158 nan 8.230 nan 0.000 0.432 342 R N 0.837 120.854 120.500 -0.804 0.000 2.502 342 R HA 0.286 4.626 4.340 -0.000 0.000 0.292 342 R C -0.430 175.482 176.300 -0.648 0.000 0.998 342 R CA 0.675 55.927 56.100 -1.413 0.000 1.056 342 R CB -0.224 29.097 30.300 -1.632 0.000 0.939 342 R HN 0.338 nan 8.270 nan 0.000 0.411 343 A N 3.178 125.730 122.820 -0.446 0.000 2.429 343 A HA -0.055 4.265 4.320 -0.000 0.000 0.684 343 A C 0.679 178.244 177.584 -0.031 0.000 0.143 343 A CA 0.237 52.249 52.037 -0.041 0.000 0.046 343 A CB -1.488 17.637 19.000 0.208 0.000 3.961 343 A HN 1.162 nan 8.150 nan 0.000 0.546 344 G N 1.499 110.309 108.800 0.017 0.000 3.324 344 G HA2 0.395 4.355 3.960 -0.000 0.000 0.232 344 G HA3 0.395 4.355 3.960 -0.000 0.000 0.232 344 G C 0.505 175.445 174.900 0.068 0.000 1.213 344 G CA 0.455 45.594 45.100 0.066 0.000 1.637 344 G HN 1.072 nan 8.290 nan 0.000 0.572 345 L N 1.462 122.724 121.223 0.064 0.000 2.865 345 L HA 0.175 4.515 4.340 -0.000 0.000 0.233 345 L C 1.684 178.612 176.870 0.098 0.000 1.320 345 L CA -0.677 54.200 54.840 0.063 0.000 1.225 345 L CB -0.217 41.868 42.059 0.044 0.000 1.542 345 L HN 0.291 nan 8.230 nan 0.000 0.432 346 I N -0.192 120.459 120.570 0.135 0.000 2.091 346 I HA -0.334 3.836 4.170 -0.000 0.000 0.239 346 I C 2.498 178.723 176.117 0.180 0.000 1.061 346 I CA 1.783 63.217 61.300 0.222 0.000 1.317 346 I CB -0.716 37.420 38.000 0.227 0.000 1.031 346 I HN 0.439 nan 8.210 nan 0.000 0.401 347 K N 0.721 121.180 120.400 0.097 0.000 2.167 347 K HA -0.042 4.278 4.320 -0.000 0.000 0.203 347 K C 1.852 178.441 176.600 -0.020 0.000 1.052 347 K CA 1.308 57.615 56.287 0.034 0.000 0.956 347 K CB -0.441 32.073 32.500 0.024 0.000 0.735 347 K HN 0.284 nan 8.250 nan 0.000 0.451 348 E N 1.685 121.884 120.200 -0.002 0.000 2.085 348 E HA -0.156 4.193 4.350 -0.000 0.000 0.194 348 E C 2.087 178.660 176.600 -0.045 0.000 0.994 348 E CA 1.765 58.153 56.400 -0.021 0.000 0.801 348 E CB -0.326 29.373 29.700 -0.001 0.000 0.743 348 E HN 0.504 nan 8.360 nan 0.000 0.453 349 A N 0.324 123.130 122.820 -0.023 0.000 1.969 349 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 349 A C 2.101 179.515 177.584 -0.283 0.000 1.169 349 A CA 1.004 53.007 52.037 -0.056 0.000 0.635 349 A CB -0.505 18.557 19.000 0.104 0.000 0.810 349 A HN 0.256 nan 8.150 nan 0.000 0.445 350 L N 0.670 121.679 121.223 -0.358 0.000 1.994 350 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 350 L C 2.753 179.414 176.870 -0.349 0.000 1.071 350 L CA 2.720 57.220 54.840 -0.567 0.000 0.745 350 L CB -0.768 41.087 42.059 -0.341 0.000 0.892 350 L HN 0.678 nan 8.230 nan 0.000 0.431 351 Q N -1.719 117.957 119.800 -0.205 0.000 2.369 351 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 351 Q C 1.855 177.764 176.000 -0.151 0.000 0.963 351 Q CA 1.499 57.211 55.803 -0.153 0.000 0.894 351 Q CB -0.624 28.054 28.738 -0.099 0.000 0.965 351 Q HN 0.430 nan 8.270 nan 0.000 0.475 352 V N 1.439 121.255 119.914 -0.163 0.000 2.548 352 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 352 V C 2.272 178.237 176.094 -0.215 0.000 1.055 352 V CA 1.140 63.345 62.300 -0.158 0.000 1.065 352 V CB -0.487 31.260 31.823 -0.126 0.000 0.681 352 V HN 0.342 nan 8.190 nan 0.000 0.462 353 L N -0.428 120.633 121.223 -0.269 0.000 1.989 353 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 353 L C 2.493 179.245 176.870 -0.197 0.000 1.071 353 L CA 1.533 56.207 54.840 -0.276 0.000 0.749 353 L CB -0.362 41.514 42.059 -0.305 0.000 0.890 353 L HN 0.205 nan 8.230 nan 0.000 0.431 354 V N -0.192 119.614 119.914 -0.180 0.000 2.255 354 V HA -0.318 3.801 4.120 -0.000 0.000 0.247 354 V C 2.139 178.171 176.094 -0.103 0.000 1.051 354 V CA 1.996 64.218 62.300 -0.129 0.000 1.018 354 V CB -0.595 31.156 31.823 -0.120 0.000 0.641 354 V HN 0.468 nan 8.190 nan 0.000 0.445 355 E N 0.006 120.144 120.200 -0.104 0.000 2.455 355 E HA -0.189 4.161 4.350 -0.000 0.000 0.202 355 E C 1.198 177.747 176.600 -0.085 0.000 1.045 355 E CA 1.215 57.565 56.400 -0.083 0.000 0.872 355 E CB -0.225 29.427 29.700 -0.079 0.000 0.792 355 E HN 0.723 nan 8.360 nan 0.000 0.542 356 N N -0.520 118.115 118.700 -0.109 0.000 2.170 356 N HA 0.003 4.743 4.740 -0.000 0.000 0.222 356 N C 1.056 176.516 175.510 -0.083 0.000 1.218 356 N CA -0.139 52.846 53.050 -0.109 0.000 0.889 356 N CB 0.506 38.890 38.487 -0.172 0.000 1.083 356 N HN 0.055 nan 8.380 nan 0.000 0.520 357 K N 0.853 121.211 120.400 -0.070 0.000 2.147 357 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 357 K C 1.721 178.310 176.600 -0.018 0.000 1.049 357 K CA 1.387 57.651 56.287 -0.038 0.000 0.936 357 K CB -0.073 32.402 32.500 -0.042 0.000 0.722 357 K HN 0.031 nan 8.250 nan 0.000 0.446 358 A N 2.329 125.135 122.820 -0.025 0.000 2.172 358 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 358 A C 0.915 178.496 177.584 -0.005 0.000 1.154 358 A CA 1.061 53.090 52.037 -0.013 0.000 0.701 358 A CB -0.396 18.593 19.000 -0.017 0.000 0.789 358 A HN 0.736 nan 8.150 nan 0.000 0.465 359 N N -1.199 117.497 118.700 -0.007 0.000 2.547 359 N HA 0.253 4.993 4.740 -0.000 0.000 0.285 359 N C -0.915 174.606 175.510 0.018 0.000 1.600 359 N CA -0.249 52.803 53.050 0.004 0.000 0.872 359 N CB -0.156 38.329 38.487 -0.003 0.000 1.412 359 N HN 0.211 nan 8.380 nan 0.000 0.489 360 I N 0.619 121.210 120.570 0.035 0.000 2.648 360 I HA 0.350 4.520 4.170 -0.000 0.000 0.304 360 I C -0.027 176.156 176.117 0.109 0.000 1.009 360 I CA -0.720 60.634 61.300 0.091 0.000 1.114 360 I CB 1.564 39.630 38.000 0.110 0.000 1.293 360 I HN -0.077 nan 8.210 nan 0.000 0.449 361 K N 4.617 125.104 120.400 0.146 0.000 2.550 361 K HA -0.043 4.277 4.320 -0.000 0.000 0.280 361 K C -0.191 176.464 176.600 0.092 0.000 0.987 361 K CA 0.162 56.515 56.287 0.109 0.000 1.048 361 K CB 0.028 32.593 32.500 0.107 0.000 0.879 361 K HN 0.464 nan 8.250 nan 0.000 0.491 362 K N 0.886 121.325 120.400 0.066 0.000 2.591 362 K HA -0.137 4.183 4.320 -0.000 0.000 0.280 362 K C 1.130 177.760 176.600 0.051 0.000 0.964 362 K CA 0.156 56.474 56.287 0.052 0.000 1.014 362 K CB 0.116 32.641 32.500 0.043 0.000 0.877 362 K HN 0.367 nan 8.250 nan 0.000 0.502 363 V N 0.243 120.182 119.914 0.040 0.000 1.635 363 V HA -0.362 3.758 4.120 -0.000 0.000 0.036 363 V C 1.269 177.389 176.094 0.043 0.000 0.531 363 V CA 2.544 64.863 62.300 0.032 0.000 1.525 363 V CB -0.704 31.132 31.823 0.021 0.000 1.758 363 V HN 0.915 nan 8.190 nan 0.000 0.760 364 E N -0.112 120.133 120.200 0.075 0.000 2.494 364 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 364 E C 1.816 178.523 176.600 0.177 0.000 1.074 364 E CA 0.613 57.094 56.400 0.136 0.000 0.867 364 E CB -0.056 29.744 29.700 0.166 0.000 0.924 364 E HN 0.888 nan 8.360 nan 0.000 0.502 365 Q N -0.608 119.254 119.800 0.103 0.000 2.591 365 Q HA -0.062 4.278 4.340 -0.000 0.000 0.219 365 Q C 1.528 177.520 176.000 -0.013 0.000 0.981 365 Q CA 0.611 56.452 55.803 0.063 0.000 0.945 365 Q CB -0.139 28.611 28.738 0.019 0.000 0.985 365 Q HN 0.066 nan 8.270 nan 0.000 0.542 366 S N 0.253 115.944 115.700 -0.016 0.000 2.406 366 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 366 S C 1.319 175.627 174.600 -0.487 0.000 1.020 366 S CA 0.266 58.341 58.200 -0.209 0.000 0.965 366 S CB -0.239 62.918 63.200 -0.072 0.000 0.798 366 S HN 0.514 nan 8.310 nan 0.000 0.488 367 F N 2.114 121.929 119.950 -0.226 0.000 2.234 367 F HA 0.072 4.599 4.527 -0.000 0.000 0.299 367 F C 1.876 177.607 175.800 -0.115 0.000 1.087 367 F CA 0.848 58.763 58.000 -0.142 0.000 1.340 367 F CB -0.278 38.673 39.000 -0.081 0.000 1.031 367 F HN 0.194 nan 8.300 nan 0.000 0.500 368 L N 0.079 121.251 121.223 -0.085 0.000 2.127 368 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 368 L C 1.885 178.595 176.870 -0.268 0.000 1.089 368 L CA 2.380 57.128 54.840 -0.152 0.000 0.757 368 L CB -1.272 40.740 42.059 -0.079 0.000 0.899 368 L HN 0.230 nan 8.230 nan 0.000 0.434 369 T N -0.838 113.484 114.554 -0.388 0.000 2.770 369 T HA -0.161 4.189 4.350 -0.000 0.000 0.263 369 T C 1.763 176.166 174.700 -0.496 0.000 1.039 369 T CA 1.381 63.217 62.100 -0.440 0.000 1.142 369 T CB -0.440 68.129 68.868 -0.497 0.000 0.868 369 T HN 0.287 nan 8.240 nan 0.000 0.435 370 Y N 0.694 120.726 120.300 -0.447 0.000 2.145 370 Y HA 0.155 4.705 4.550 -0.000 0.000 0.286 370 Y C 1.078 176.708 175.900 -0.450 0.000 1.145 370 Y CA -0.888 56.902 58.100 -0.516 0.000 1.148 370 Y CB -1.056 37.145 38.460 -0.432 0.000 0.981 370 Y HN 0.122 nan 8.280 nan 0.000 0.507 371 F N 2.533 122.116 119.950 -0.612 0.000 2.529 371 F HA 0.264 4.791 4.527 -0.000 0.000 0.365 371 F C 0.636 176.275 175.800 -0.267 0.000 1.102 371 F CA -0.503 57.212 58.000 -0.475 0.000 1.271 371 F CB 0.077 38.699 39.000 -0.630 0.000 1.120 371 F HN -0.053 nan 8.300 nan 0.000 0.579 372 K N 3.812 124.408 120.400 0.325 0.000 6.806 372 K HA -0.024 4.296 4.320 -0.000 0.000 0.764 372 K C 0.008 176.622 176.600 0.022 0.000 2.469 372 K CA 0.761 57.120 56.287 0.120 0.000 1.793 372 K CB -1.087 31.421 32.500 0.014 0.000 2.301 372 K HN 1.502 nan 8.250 nan 0.000 0.246 373 A N 3.373 126.215 122.820 0.037 0.000 1.282 373 A HA -0.299 4.021 4.320 -0.000 0.000 0.206 373 A C -0.205 177.403 177.584 0.041 0.000 0.914 373 A CA 0.563 52.617 52.037 0.028 0.000 1.105 373 A CB -1.545 17.450 19.000 -0.008 0.000 1.466 373 A HN 1.150 nan 8.150 nan 0.000 0.722 374 Y N 1.997 122.247 120.300 -0.085 0.000 2.677 374 Y HA 0.324 4.874 4.550 -0.000 0.000 0.335 374 Y C 1.321 177.184 175.900 -0.062 0.000 1.162 374 Y CA 2.248 60.273 58.100 -0.126 0.000 1.483 374 Y CB 0.377 38.674 38.460 -0.272 0.000 1.209 374 Y HN 2.252 nan 8.280 nan 0.000 0.528 375 A N 2.361 125.104 122.820 -0.129 0.000 1.261 375 A HA -0.273 4.047 4.320 -0.000 0.000 0.210 375 A C 1.376 178.945 177.584 -0.026 0.000 0.705 375 A CA 0.704 52.735 52.037 -0.010 0.000 1.101 375 A CB -2.284 16.823 19.000 0.178 0.000 1.469 375 A HN 1.332 nan 8.150 nan 0.000 0.723 376 S N 1.119 116.826 115.700 0.011 0.000 3.048 376 S HA 0.492 4.962 4.470 -0.000 0.000 0.254 376 S C 0.492 175.083 174.600 -0.015 0.000 1.084 376 S CA 1.499 59.700 58.200 0.002 0.000 1.195 376 S CB -1.321 61.888 63.200 0.015 0.000 0.870 376 S HN 2.479 nan 8.310 nan 0.000 0.483 377 S N -0.591 115.080 115.700 -0.048 0.000 2.930 377 S HA 0.575 5.045 4.470 -0.000 0.000 0.306 377 S C -1.144 173.403 174.600 -0.089 0.000 1.238 377 S CA -1.042 57.127 58.200 -0.052 0.000 1.000 377 S CB 0.315 63.490 63.200 -0.041 0.000 1.342 377 S HN 0.167 nan 8.310 nan 0.000 0.575 378 K N 2.558 122.911 120.400 -0.078 0.000 2.412 378 K HA 0.220 4.540 4.320 -0.000 0.000 0.281 378 K C 0.530 176.973 176.600 -0.262 0.000 1.027 378 K CA 0.269 56.498 56.287 -0.098 0.000 0.989 378 K CB 0.193 32.704 32.500 0.017 0.000 0.935 378 K HN 0.626 nan 8.250 nan 0.000 0.475 379 D N 4.097 124.229 120.400 -0.446 0.000 2.368 379 D HA -0.133 4.507 4.640 -0.000 0.000 0.250 379 D C 0.068 175.744 176.300 -1.040 0.000 1.142 379 D CA 0.865 54.401 54.000 -0.773 0.000 0.925 379 D CB -0.103 40.342 40.800 -0.592 0.000 0.896 379 D HN 0.514 nan 8.370 nan 0.000 0.525 380 H N 0.615 119.461 119.070 -0.373 0.000 4.983 380 H HA 0.327 4.883 4.556 -0.000 0.000 0.113 380 H C 1.153 176.385 175.328 -0.161 0.000 1.343 380 H CA 0.170 56.086 56.048 -0.220 0.000 0.892 380 H CB -0.809 28.887 29.762 -0.110 0.000 1.645 380 H HN 0.192 nan 8.280 nan 0.000 0.259 381 G N 2.069 110.926 108.800 0.095 0.000 2.220 381 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 381 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 381 G C -0.139 174.800 174.900 0.065 0.000 0.791 381 G CA 0.224 45.352 45.100 0.046 0.000 1.197 381 G HN 0.312 nan 8.290 nan 0.000 0.336 382 L N 3.657 124.921 121.223 0.069 0.000 2.387 382 L HA 0.261 4.601 4.340 -0.000 0.000 0.267 382 L C -1.449 175.459 176.870 0.063 0.000 1.197 382 L CA -1.771 53.103 54.840 0.057 0.000 1.070 382 L CB 0.194 42.257 42.059 0.007 0.000 1.349 382 L HN 0.204 nan 8.230 nan 0.000 0.422 383 P HA 0.127 nan 4.420 nan 0.000 0.269 383 P C 0.933 178.258 177.300 0.042 0.000 1.263 383 P CA 0.323 63.486 63.100 0.105 0.000 0.813 383 P CB 1.271 33.079 31.700 0.180 0.000 0.868 384 V N 2.534 122.441 119.914 -0.012 0.000 0.688 384 V HA -0.369 3.751 4.120 -0.000 0.000 0.092 384 V C 2.313 178.357 176.094 -0.084 0.000 0.827 384 V CA 2.390 64.654 62.300 -0.060 0.000 3.108 384 V CB -1.639 30.129 31.823 -0.092 0.000 0.219 384 V HN 0.707 nan 8.190 nan 0.000 0.146 385 E N 0.250 120.349 120.200 -0.168 0.000 2.371 385 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 385 E C 1.860 178.393 176.600 -0.112 0.000 1.012 385 E CA 1.767 58.079 56.400 -0.147 0.000 0.860 385 E CB -0.277 29.324 29.700 -0.165 0.000 0.811 385 E HN 0.829 nan 8.360 nan 0.000 0.502 386 Y N 1.854 122.122 120.300 -0.053 0.000 2.315 386 Y HA -0.127 4.423 4.550 -0.000 0.000 0.288 386 Y C 2.863 178.513 175.900 -0.416 0.000 1.154 386 Y CA 1.025 59.033 58.100 -0.152 0.000 1.229 386 Y CB -0.846 37.610 38.460 -0.007 0.000 0.980 386 Y HN 0.133 nan 8.280 nan 0.000 0.540 387 S N -0.433 115.185 115.700 -0.137 0.000 2.335 387 S HA -0.184 4.286 4.470 -0.000 0.000 0.216 387 S C 2.337 176.720 174.600 -0.361 0.000 1.032 387 S CA 2.148 60.170 58.200 -0.296 0.000 1.000 387 S CB -0.772 62.350 63.200 -0.129 0.000 0.928 387 S HN 0.636 nan 8.310 nan 0.000 0.434 388 T N -0.572 113.916 114.554 -0.110 0.000 2.759 388 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 388 T C 1.807 176.498 174.700 -0.014 0.000 1.042 388 T CA 1.663 63.768 62.100 0.008 0.000 1.140 388 T CB -0.419 68.466 68.868 0.027 0.000 0.864 388 T HN 0.264 nan 8.240 nan 0.000 0.455 389 K N 0.777 121.137 120.400 -0.067 0.000 2.228 389 K HA 0.314 4.634 4.320 -0.000 0.000 0.202 389 K C 2.049 178.618 176.600 -0.051 0.000 1.051 389 K CA 0.522 56.808 56.287 -0.002 0.000 0.960 389 K CB -0.751 31.810 32.500 0.102 0.000 0.743 389 K HN 0.455 nan 8.250 nan 0.000 0.458 390 L N -0.190 120.838 121.223 -0.326 0.000 1.988 390 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 390 L C 1.711 178.584 176.870 0.005 0.000 1.071 390 L CA 1.555 56.226 54.840 -0.281 0.000 0.744 390 L CB -0.338 41.382 42.059 -0.565 0.000 0.893 390 L HN 0.406 nan 8.230 nan 0.000 0.433 391 H N -1.396 117.669 119.070 -0.009 0.000 2.501 391 H HA -0.204 4.352 4.556 -0.000 0.000 0.296 391 H C 2.002 177.393 175.328 0.105 0.000 1.115 391 H CA 1.578 57.644 56.048 0.030 0.000 1.242 391 H CB -0.065 29.689 29.762 -0.015 0.000 1.363 391 H HN 0.415 nan 8.280 nan 0.000 0.537 392 T N 0.134 114.813 114.554 0.208 0.000 2.770 392 T HA -0.095 4.255 4.350 -0.000 0.000 0.258 392 T C 1.771 176.606 174.700 0.224 0.000 1.039 392 T CA 1.274 63.485 62.100 0.184 0.000 1.143 392 T CB -0.031 68.921 68.868 0.139 0.000 0.866 392 T HN 0.521 nan 8.240 nan 0.000 0.428 393 E N 0.557 120.893 120.200 0.227 0.000 2.051 393 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 393 E C 1.998 178.763 176.600 0.276 0.000 0.991 393 E CA 1.258 57.795 56.400 0.229 0.000 0.799 393 E CB -0.441 29.364 29.700 0.176 0.000 0.748 393 E HN 0.590 nan 8.360 nan 0.000 0.449 394 Y N 2.131 122.527 120.300 0.161 0.000 2.165 394 Y HA -0.245 4.305 4.550 -0.000 0.000 0.286 394 Y C 2.062 177.984 175.900 0.037 0.000 1.155 394 Y CA 1.585 59.730 58.100 0.074 0.000 1.164 394 Y CB -0.061 38.481 38.460 0.137 0.000 0.978 394 Y HN -0.007 nan 8.280 nan 0.000 0.513 395 N N -0.351 118.531 118.700 0.304 0.000 2.381 395 N HA -0.150 4.590 4.740 -0.000 0.000 0.182 395 N C 0.821 176.353 175.510 0.035 0.000 1.025 395 N CA 1.059 54.213 53.050 0.174 0.000 0.888 395 N CB 0.077 38.670 38.487 0.177 0.000 0.965 395 N HN 0.423 nan 8.380 nan 0.000 0.438 396 Q N -1.493 118.350 119.800 0.071 0.000 2.164 396 Q HA 0.217 4.557 4.340 -0.000 0.000 0.226 396 Q C 0.032 175.842 176.000 -0.316 0.000 0.813 396 Q CA 0.168 55.935 55.803 -0.058 0.000 0.978 396 Q CB 0.596 29.346 28.738 0.021 0.000 1.149 396 Q HN 0.401 nan 8.270 nan 0.000 0.489 397 H N -2.613 116.378 119.070 -0.132 0.000 3.899 397 H HA 0.266 4.822 4.556 -0.000 0.000 0.260 397 H C 0.560 175.704 175.328 -0.306 0.000 1.122 397 H CA 0.309 56.255 56.048 -0.169 0.000 1.165 397 H CB 1.283 30.981 29.762 -0.107 0.000 1.503 397 H HN 0.071 nan 8.280 nan 0.000 0.671 398 I N 0.502 120.862 120.570 -0.350 0.000 3.570 398 I HA 0.010 4.180 4.170 -0.000 0.000 0.270 398 I C 2.368 178.101 176.117 -0.640 0.000 1.162 398 I CA 0.419 61.349 61.300 -0.616 0.000 1.413 398 I CB 0.278 37.695 38.000 -0.971 0.000 1.437 398 I HN -0.164 nan 8.210 nan 0.000 0.457 399 K N 0.648 120.583 120.400 -0.774 0.000 2.052 399 K HA -0.151 4.169 4.320 -0.000 0.000 0.215 399 K C 0.701 177.123 176.600 -0.297 0.000 1.053 399 K CA 1.957 57.921 56.287 -0.539 0.000 0.934 399 K CB -0.098 32.222 32.500 -0.299 0.000 0.717 399 K HN 0.191 nan 8.250 nan 0.000 0.450 400 S N 0.352 115.908 115.700 -0.239 0.000 2.449 400 S HA 0.124 4.594 4.470 -0.000 0.000 0.237 400 S C -0.720 173.778 174.600 -0.169 0.000 1.214 400 S CA -0.482 57.616 58.200 -0.169 0.000 1.226 400 S CB 1.008 64.131 63.200 -0.128 0.000 0.904 400 S HN 0.192 nan 8.310 nan 0.000 0.490 401 S N 1.392 116.974 115.700 -0.197 0.000 2.437 401 S HA 0.440 4.910 4.470 -0.000 0.000 0.305 401 S C 0.816 175.325 174.600 -0.151 0.000 1.109 401 S CA -0.729 57.365 58.200 -0.177 0.000 1.099 401 S CB 0.825 63.897 63.200 -0.213 0.000 1.004 401 S HN 0.381 nan 8.310 nan 0.000 0.475 402 L N 4.057 125.209 121.223 -0.117 0.000 2.027 402 L HA 0.100 4.440 4.340 -0.000 0.000 0.206 402 L C 1.007 177.820 176.870 -0.095 0.000 1.074 402 L CA 2.113 56.896 54.840 -0.095 0.000 0.745 402 L CB -0.298 41.717 42.059 -0.074 0.000 0.898 402 L HN 0.827 nan 8.230 nan 0.000 0.433 403 D N -1.517 118.825 120.400 -0.096 0.000 2.696 403 D HA 0.240 4.880 4.640 -0.000 0.000 0.269 403 D C 0.720 176.953 176.300 -0.111 0.000 1.319 403 D CA -0.067 53.881 54.000 -0.088 0.000 0.826 403 D CB -0.697 40.065 40.800 -0.062 0.000 1.086 403 D HN 0.209 nan 8.370 nan 0.000 0.481 404 G N -0.027 108.682 108.800 -0.152 0.000 2.483 404 G HA2 0.116 4.076 3.960 -0.000 0.000 0.248 404 G HA3 0.116 4.076 3.960 -0.000 0.000 0.248 404 G C -0.083 174.694 174.900 -0.206 0.000 1.248 404 G CA -0.431 44.548 45.100 -0.201 0.000 0.838 404 G HN 0.111 nan 8.290 nan 0.000 0.566 405 D N 2.019 122.282 120.400 -0.229 0.000 2.412 405 D HA 0.064 4.704 4.640 -0.000 0.000 0.257 405 D C -1.180 174.963 176.300 -0.262 0.000 1.217 405 D CA -1.440 52.442 54.000 -0.197 0.000 0.897 405 D CB 1.670 42.364 40.800 -0.177 0.000 1.132 405 D HN -0.007 nan 8.370 nan 0.000 0.493 406 P HA -0.098 nan 4.420 nan 0.000 0.222 406 P C 0.738 177.756 177.300 -0.470 0.000 1.147 406 P CA 1.020 63.902 63.100 -0.364 0.000 0.790 406 P CB 0.053 31.501 31.700 -0.420 0.000 0.780 407 Y N -0.613 119.539 120.300 -0.246 0.000 2.314 407 Y HA 0.023 4.573 4.550 -0.000 0.000 0.294 407 Y C 2.847 178.629 175.900 -0.197 0.000 1.119 407 Y CA 0.694 58.648 58.100 -0.243 0.000 1.179 407 Y CB -0.431 37.981 38.460 -0.081 0.000 1.025 407 Y HN -0.240 nan 8.280 nan 0.000 0.541 408 R N 0.797 121.110 120.500 -0.311 0.000 2.115 408 R HA -0.256 4.084 4.340 -0.000 0.000 0.239 408 R C 2.224 178.222 176.300 -0.505 0.000 1.133 408 R CA 2.055 57.580 56.100 -0.957 0.000 0.935 408 R CB -0.812 28.619 30.300 -1.447 0.000 0.853 408 R HN 0.416 nan 8.270 nan 0.000 0.433 409 L N 0.147 121.118 121.223 -0.421 0.000 1.990 409 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 409 L C 2.442 179.290 176.870 -0.037 0.000 1.072 409 L CA 2.069 56.757 54.840 -0.253 0.000 0.755 409 L CB -0.524 41.375 42.059 -0.268 0.000 0.889 409 L HN 0.413 nan 8.230 nan 0.000 0.432 410 A N -0.986 121.769 122.820 -0.109 0.000 1.892 410 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 410 A C 2.201 179.892 177.584 0.179 0.000 1.188 410 A CA 2.266 54.287 52.037 -0.027 0.000 0.631 410 A CB -1.159 17.658 19.000 -0.306 0.000 0.822 410 A HN 0.361 nan 8.150 nan 0.000 0.447 411 V N -1.843 118.218 119.914 0.245 0.000 2.427 411 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 411 V C 2.349 178.547 176.094 0.173 0.000 1.051 411 V CA 1.900 64.409 62.300 0.347 0.000 1.048 411 V CB -1.004 31.135 31.823 0.527 0.000 0.666 411 V HN 0.633 nan 8.190 nan 0.000 0.456 412 Y N 0.529 120.743 120.300 -0.142 0.000 2.181 412 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 412 Y C 2.583 178.459 175.900 -0.039 0.000 1.146 412 Y CA 1.979 59.981 58.100 -0.163 0.000 1.164 412 Y CB -0.209 38.194 38.460 -0.095 0.000 0.982 412 Y HN 0.135 nan 8.280 nan 0.000 0.515 413 K N -0.023 120.455 120.400 0.130 0.000 2.062 413 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 413 K C 1.849 178.375 176.600 -0.123 0.000 1.051 413 K CA 1.162 57.393 56.287 -0.093 0.000 0.941 413 K CB -0.248 32.238 32.500 -0.025 0.000 0.719 413 K HN 0.276 nan 8.250 nan 0.000 0.440 414 L N 0.754 121.936 121.223 -0.068 0.000 2.044 414 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 414 L C 2.287 179.030 176.870 -0.213 0.000 1.075 414 L CA 0.447 55.202 54.840 -0.143 0.000 0.747 414 L CB -0.319 41.671 42.059 -0.114 0.000 0.903 414 L HN 0.157 nan 8.230 nan 0.000 0.435 415 I N 0.304 120.723 120.570 -0.252 0.000 2.202 415 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 415 I C 2.566 178.504 176.117 -0.297 0.000 1.091 415 I CA 1.872 62.855 61.300 -0.527 0.000 1.368 415 I CB -1.892 35.785 38.000 -0.539 0.000 1.058 415 I HN 0.237 nan 8.210 nan 0.000 0.410 416 G N -0.532 108.180 108.800 -0.146 0.000 2.464 416 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 416 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 416 G C 0.877 175.717 174.900 -0.101 0.000 1.138 416 G CA 0.012 45.020 45.100 -0.152 0.000 0.793 416 G HN 0.367 nan 8.290 nan 0.000 0.539 417 R N -1.109 119.326 120.500 -0.107 0.000 3.184 417 R HA -0.146 4.194 4.340 -0.000 0.000 0.257 417 R C -0.342 175.919 176.300 -0.066 0.000 0.999 417 R CA 0.069 56.121 56.100 -0.079 0.000 0.670 417 R CB -2.692 27.602 30.300 -0.010 0.000 1.197 417 R HN 0.420 nan 8.270 nan 0.000 0.419 418 C N 1.182 120.333 119.300 -0.249 0.000 2.403 418 C HA 0.184 4.644 4.460 -0.000 0.000 0.361 418 C C 0.548 175.336 174.990 -0.337 0.000 1.274 418 C CA -0.378 58.417 59.018 -0.373 0.000 2.433 418 C CB 0.820 27.927 27.740 -1.056 0.000 2.323 418 C HN 0.747 nan 8.230 nan 0.000 0.614 419 D N 0.905 121.152 120.400 -0.254 0.000 7.547 419 D HA -0.190 4.450 4.640 -0.000 0.000 0.125 419 D C 0.466 176.665 176.300 -0.167 0.000 1.148 419 D CA 0.658 54.561 54.000 -0.161 0.000 0.811 419 D CB -0.080 40.683 40.800 -0.062 0.000 1.599 419 D HN 0.615 nan 8.370 nan 0.000 0.920 420 L N 1.570 122.690 121.223 -0.171 0.000 2.313 420 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 420 L C 1.617 178.379 176.870 -0.181 0.000 1.119 420 L CA 0.624 55.344 54.840 -0.200 0.000 0.809 420 L CB -0.473 41.486 42.059 -0.165 0.000 0.933 420 L HN 0.501 nan 8.230 nan 0.000 0.449 421 S N 0.625 116.255 115.700 -0.117 0.000 2.589 421 S HA 0.119 4.589 4.470 -0.000 0.000 0.265 421 S C 0.295 174.850 174.600 -0.076 0.000 1.342 421 S CA -0.704 57.447 58.200 -0.081 0.000 1.005 421 S CB 0.583 63.750 63.200 -0.055 0.000 0.909 421 S HN 0.311 nan 8.310 nan 0.000 0.555 422 R N -0.067 120.407 120.500 -0.043 0.000 2.728 422 R HA -0.139 4.201 4.340 -0.000 0.000 0.283 422 R C -0.315 175.941 176.300 -0.074 0.000 0.956 422 R CA 0.701 56.783 56.100 -0.030 0.000 0.785 422 R CB -1.868 28.422 30.300 -0.017 0.000 2.035 422 R HN 0.890 nan 8.270 nan 0.000 0.510 423 K N 1.293 121.644 120.400 -0.081 0.000 2.374 423 K HA 0.015 4.335 4.320 -0.000 0.000 0.196 423 K C 0.283 176.773 176.600 -0.184 0.000 1.023 423 K CA 0.410 56.572 56.287 -0.209 0.000 1.103 423 K CB 0.242 32.596 32.500 -0.245 0.000 0.848 423 K HN 0.677 nan 8.250 nan 0.000 0.528 424 N N -0.471 118.209 118.700 -0.034 0.000 2.509 424 N HA 0.265 5.005 4.740 -0.000 0.000 0.287 424 N C -0.785 174.719 175.510 -0.010 0.000 1.121 424 N CA -0.551 52.522 53.050 0.040 0.000 0.977 424 N CB 1.127 39.676 38.487 0.103 0.000 1.167 424 N HN -0.107 nan 8.380 nan 0.000 0.476 425 I N 1.675 122.249 120.570 0.006 0.000 2.405 425 I HA 0.296 4.466 4.170 -0.000 0.000 0.280 425 I C -1.683 174.400 176.117 -0.057 0.000 1.027 425 I CA -2.092 59.183 61.300 -0.041 0.000 1.161 425 I CB 1.523 39.490 38.000 -0.055 0.000 1.300 425 I HN 0.524 nan 8.210 nan 0.000 0.463 426 P HA -0.297 nan 4.420 nan 0.000 0.224 426 P C 1.312 178.543 177.300 -0.114 0.000 0.980 426 P CA 1.226 64.273 63.100 -0.087 0.000 1.028 426 P CB 0.234 31.868 31.700 -0.110 0.000 0.617 427 A N -1.467 121.254 122.820 -0.165 0.000 2.178 427 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 427 A C 1.402 178.886 177.584 -0.167 0.000 1.157 427 A CA 1.323 53.271 52.037 -0.148 0.000 0.689 427 A CB -1.262 17.642 19.000 -0.160 0.000 0.787 427 A HN 0.108 nan 8.150 nan 0.000 0.465 428 V N -1.458 118.303 119.914 -0.254 0.000 5.209 428 V HA 0.266 4.386 4.120 -0.000 0.000 0.273 428 V C 0.991 177.070 176.094 -0.024 0.000 1.376 428 V CA 0.302 62.474 62.300 -0.213 0.000 0.689 428 V CB -0.861 30.655 31.823 -0.511 0.000 1.297 428 V HN 0.477 nan 8.190 nan 0.000 0.391 429 T N 2.349 116.944 114.554 0.068 0.000 2.781 429 T HA -0.108 4.242 4.350 -0.000 0.000 0.476 429 T C -0.594 174.212 174.700 0.177 0.000 0.785 429 T CA -0.098 62.118 62.100 0.193 0.000 2.497 429 T CB -1.384 67.622 68.868 0.230 0.000 1.663 429 T HN 0.325 nan 8.240 nan 0.000 0.547 430 L N 1.011 122.368 121.223 0.224 0.000 2.544 430 L HA 0.791 5.131 4.340 -0.000 0.000 0.256 430 L C 1.356 178.334 176.870 0.179 0.000 1.097 430 L CA 0.165 55.118 54.840 0.188 0.000 0.812 430 L CB 0.113 42.313 42.059 0.234 0.000 1.440 430 L HN 1.281 nan 8.230 nan 0.000 0.496 431 S N -1.034 114.737 115.700 0.119 0.000 3.533 431 S HA -0.224 4.246 4.470 -0.000 0.000 0.857 431 S C 0.971 175.641 174.600 0.117 0.000 1.229 431 S CA 0.613 58.858 58.200 0.075 0.000 0.814 431 S CB -0.918 62.309 63.200 0.045 0.000 0.573 431 S HN 0.493 nan 8.310 nan 0.000 0.283 432 I N 2.617 123.217 120.570 0.050 0.000 2.361 432 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 432 I C 2.558 178.839 176.117 0.274 0.000 1.133 432 I CA 1.682 63.079 61.300 0.161 0.000 1.413 432 I CB -0.548 37.538 38.000 0.143 0.000 1.073 432 I HN 0.829 nan 8.210 nan 0.000 0.424 433 E N 0.860 121.110 120.200 0.083 0.000 2.047 433 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 433 E C 1.424 178.220 176.600 0.326 0.000 0.987 433 E CA 1.313 57.830 56.400 0.195 0.000 0.799 433 E CB -0.635 29.108 29.700 0.071 0.000 0.752 433 E HN 0.432 nan 8.360 nan 0.000 0.449 434 D N 0.859 121.426 120.400 0.278 0.000 2.127 434 D HA -0.198 4.442 4.640 -0.000 0.000 0.190 434 D C 1.505 178.100 176.300 0.491 0.000 1.000 434 D CA 1.429 55.647 54.000 0.364 0.000 0.839 434 D CB -0.701 40.302 40.800 0.339 0.000 0.955 434 D HN 0.342 nan 8.370 nan 0.000 0.446 435 W N 1.196 122.676 121.300 0.299 0.000 2.335 435 W HA -0.170 4.490 4.660 -0.000 0.000 0.311 435 W C 2.201 178.984 176.519 0.440 0.000 1.213 435 W CA 1.386 58.934 57.345 0.339 0.000 1.274 435 W CB -0.508 29.130 29.460 0.296 0.000 1.148 435 W HN -0.031 nan 8.180 nan 0.000 0.498 436 L N -0.885 120.723 121.223 0.642 0.000 2.017 436 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 436 L C 2.309 179.331 176.870 0.253 0.000 1.073 436 L CA 1.965 57.097 54.840 0.487 0.000 0.745 436 L CB -1.357 41.084 42.059 0.637 0.000 0.894 436 L HN 0.227 nan 8.230 nan 0.000 0.432 437 W N 0.735 122.122 121.300 0.145 0.000 2.335 437 W HA -0.241 4.419 4.660 -0.000 0.000 0.311 437 W C 2.477 178.973 176.519 -0.038 0.000 1.213 437 W CA 1.586 58.963 57.345 0.052 0.000 1.274 437 W CB -0.193 29.293 29.460 0.043 0.000 1.148 437 W HN 0.010 nan 8.180 nan 0.000 0.498 438 M N -0.600 118.989 119.600 -0.018 0.000 2.073 438 M HA -0.333 4.147 4.480 -0.000 0.000 0.258 438 M C 2.294 178.290 176.300 -0.507 0.000 1.070 438 M CA 2.062 57.159 55.300 -0.338 0.000 1.103 438 M CB -1.333 31.189 32.600 -0.129 0.000 1.321 438 M HN 0.067 nan 8.290 nan 0.000 0.405 439 H N 0.308 119.056 119.070 -0.536 0.000 2.319 439 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 439 H C 2.189 177.136 175.328 -0.634 0.000 1.092 439 H CA 1.872 57.526 56.048 -0.657 0.000 1.302 439 H CB -0.443 28.651 29.762 -1.113 0.000 1.373 439 H HN 0.370 nan 8.280 nan 0.000 0.497 440 L N 0.078 120.964 121.223 -0.560 0.000 2.042 440 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 440 L C 2.810 179.478 176.870 -0.338 0.000 1.076 440 L CA 0.799 55.391 54.840 -0.414 0.000 0.749 440 L CB -0.339 41.592 42.059 -0.214 0.000 0.893 440 L HN 0.234 nan 8.230 nan 0.000 0.432 441 M N -1.027 118.267 119.600 -0.508 0.000 2.202 441 M HA -0.194 4.286 4.480 -0.000 0.000 0.262 441 M C 2.026 178.178 176.300 -0.247 0.000 1.063 441 M CA 1.497 56.518 55.300 -0.464 0.000 1.097 441 M CB -0.770 31.350 32.600 -0.799 0.000 1.382 441 M HN 0.225 nan 8.290 nan 0.000 0.413 442 L N -0.313 120.774 121.223 -0.225 0.000 2.554 442 L HA 0.174 4.514 4.340 -0.000 0.000 0.226 442 L C 0.894 177.839 176.870 0.124 0.000 1.137 442 L CA 0.439 55.227 54.840 -0.086 0.000 0.863 442 L CB -0.654 41.282 42.059 -0.205 0.000 0.985 442 L HN 0.112 nan 8.230 nan 0.000 0.451 443 I N -0.316 120.279 120.570 0.041 0.000 2.581 443 I HA 0.096 4.266 4.170 -0.000 0.000 0.288 443 I C 0.590 176.701 176.117 -0.010 0.000 1.047 443 I CA -0.013 61.272 61.300 -0.026 0.000 1.374 443 I CB 0.734 38.614 38.000 -0.201 0.000 1.423 443 I HN -0.044 nan 8.210 nan 0.000 0.549 444 K N 5.665 126.044 120.400 -0.035 0.000 2.579 444 K HA 0.264 4.584 4.320 -0.000 0.000 0.250 444 K C -0.991 175.519 176.600 -0.150 0.000 0.952 444 K CA -0.613 55.615 56.287 -0.099 0.000 0.857 444 K CB 1.154 33.620 32.500 -0.056 0.000 1.123 444 K HN 0.478 nan 8.250 nan 0.000 0.433 445 E N 2.996 123.057 120.200 -0.232 0.000 2.354 445 E HA 0.061 4.411 4.350 -0.000 0.000 0.269 445 E C -0.624 175.861 176.600 -0.192 0.000 1.036 445 E CA -0.183 56.105 56.400 -0.186 0.000 0.876 445 E CB 1.182 30.779 29.700 -0.171 0.000 1.009 445 E HN 0.529 nan 8.360 nan 0.000 0.416 446 K N 2.134 122.456 120.400 -0.130 0.000 7.548 446 K HA -0.201 4.119 4.320 -0.000 0.000 0.614 446 K C -1.203 175.328 176.600 -0.115 0.000 2.594 446 K CA 1.112 57.332 56.287 -0.112 0.000 1.990 446 K CB -0.359 32.080 32.500 -0.102 0.000 2.036 446 K HN 0.790 nan 8.250 nan 0.000 0.281 447 D N 0.293 120.630 120.400 -0.104 0.000 2.872 447 D HA -0.199 4.441 4.640 -0.000 0.000 0.248 447 D C 0.461 176.680 176.300 -0.134 0.000 1.104 447 D CA 0.999 54.934 54.000 -0.109 0.000 0.784 447 D CB -1.373 39.374 40.800 -0.088 0.000 1.036 447 D HN 0.598 nan 8.370 nan 0.000 0.426 448 A N 1.353 124.069 122.820 -0.173 0.000 1.844 448 A HA -0.090 4.230 4.320 -0.000 0.000 0.212 448 A C 1.884 179.183 177.584 -0.476 0.000 1.221 448 A CA 1.214 53.106 52.037 -0.242 0.000 0.607 448 A CB 0.078 18.961 19.000 -0.195 0.000 0.878 448 A HN 0.364 nan 8.150 nan 0.000 0.451 449 E N 0.503 120.344 120.200 -0.598 0.000 2.481 449 E HA 0.035 4.385 4.350 -0.000 0.000 0.198 449 E C -0.771 175.668 176.600 -0.269 0.000 1.027 449 E CA -0.184 55.855 56.400 -0.602 0.000 0.900 449 E CB -0.616 28.647 29.700 -0.728 0.000 0.993 449 E HN 0.602 nan 8.360 nan 0.000 0.482 450 N N 2.706 121.283 118.700 -0.205 0.000 2.739 450 N HA 0.040 4.780 4.740 -0.000 0.000 0.266 450 N C -0.525 174.925 175.510 -0.100 0.000 1.168 450 N CA 0.267 53.242 53.050 -0.124 0.000 1.055 450 N CB 0.474 38.900 38.487 -0.102 0.000 1.393 450 N HN 0.104 nan 8.380 nan 0.000 0.514 451 D N -0.995 119.353 120.400 -0.087 0.000 2.514 451 D HA -0.123 4.517 4.640 -0.000 0.000 0.245 451 D C -2.147 174.121 176.300 -0.054 0.000 0.891 451 D CA 0.555 54.519 54.000 -0.060 0.000 1.737 451 D CB -1.710 39.062 40.800 -0.047 0.000 1.350 451 D HN 0.356 nan 8.370 nan 0.000 0.674 452 P HA 0.263 nan 4.420 nan 0.000 0.271 452 P C -0.029 177.254 177.300 -0.028 0.000 1.216 452 P CA -0.259 62.819 63.100 -0.037 0.000 0.771 452 P CB 0.774 32.451 31.700 -0.039 0.000 0.864 453 V N 1.712 121.631 119.914 0.008 0.000 2.516 453 V HA -0.116 4.004 4.120 -0.000 0.000 0.240 453 V C 0.267 176.419 176.094 0.096 0.000 1.084 453 V CA -0.429 61.892 62.300 0.035 0.000 1.254 453 V CB -2.351 29.484 31.823 0.021 0.000 1.224 453 V HN 0.425 nan 8.190 nan 0.000 0.480 454 Y N 2.097 122.387 120.300 -0.017 0.000 3.072 454 Y HA -0.202 4.348 4.550 -0.000 0.000 0.230 454 Y C 0.959 176.847 175.900 -0.020 0.000 0.939 454 Y CA 0.712 58.803 58.100 -0.015 0.000 0.748 454 Y CB -0.910 37.544 38.460 -0.011 0.000 0.980 454 Y HN 0.745 nan 8.280 nan 0.000 0.423 455 E N 3.487 123.816 120.200 0.215 0.000 2.001 455 E HA 0.080 4.430 4.350 -0.000 0.000 0.279 455 E C 1.274 177.990 176.600 0.194 0.000 1.045 455 E CA -0.131 56.352 56.400 0.137 0.000 0.833 455 E CB 0.363 30.072 29.700 0.014 0.000 1.077 455 E HN 0.736 nan 8.360 nan 0.000 0.397 456 R N 2.411 123.066 120.500 0.260 0.000 2.109 456 R HA -0.169 4.171 4.340 -0.000 0.000 0.227 456 R C 0.703 177.161 176.300 0.263 0.000 1.132 456 R CA 0.552 56.855 56.100 0.338 0.000 0.907 456 R CB -0.835 29.597 30.300 0.220 0.000 0.825 456 R HN 0.290 nan 8.270 nan 0.000 0.432 457 Y N 2.933 123.264 120.300 0.051 0.000 2.329 457 Y HA -0.281 4.269 4.550 -0.000 0.000 0.430 457 Y C 0.877 176.794 175.900 0.029 0.000 1.228 457 Y CA 0.980 59.097 58.100 0.027 0.000 1.735 457 Y CB -1.033 37.412 38.460 -0.024 0.000 1.238 457 Y HN 0.705 nan 8.280 nan 0.000 0.388 458 S N 1.461 117.152 115.700 -0.014 0.000 4.146 458 S HA -0.278 4.192 4.470 -0.000 0.000 0.626 458 S C 1.143 175.646 174.600 -0.163 0.000 1.882 458 S CA 0.417 58.487 58.200 -0.216 0.000 4.221 458 S CB -1.519 61.173 63.200 -0.847 0.000 0.205 458 S HN 1.040 nan 8.310 nan 0.000 0.483 459 L N 1.538 122.623 121.223 -0.230 0.000 3.381 459 L HA -0.383 3.957 4.340 -0.000 0.000 0.165 459 L C 1.886 178.707 176.870 -0.082 0.000 4.445 459 L CA 3.800 58.568 54.840 -0.120 0.000 0.418 459 L CB -2.002 40.012 42.059 -0.076 0.000 3.540 459 L HN 1.018 nan 8.230 nan 0.000 0.512 460 E N -0.351 119.806 120.200 -0.072 0.000 2.070 460 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 460 E C 1.519 178.100 176.600 -0.032 0.000 1.004 460 E CA 2.141 58.509 56.400 -0.054 0.000 0.805 460 E CB -0.111 29.569 29.700 -0.033 0.000 0.744 460 E HN 0.729 nan 8.360 nan 0.000 0.451 461 D N 0.006 120.396 120.400 -0.016 0.000 2.116 461 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 461 D C 1.568 177.955 176.300 0.144 0.000 0.998 461 D CA 1.161 55.205 54.000 0.074 0.000 0.836 461 D CB -0.507 40.395 40.800 0.170 0.000 0.951 461 D HN 0.253 nan 8.370 nan 0.000 0.449 462 F N 1.478 121.316 119.950 -0.187 0.000 2.102 462 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 462 F C 2.152 177.928 175.800 -0.040 0.000 1.105 462 F CA 1.444 59.376 58.000 -0.114 0.000 1.239 462 F CB -0.673 38.140 39.000 -0.312 0.000 0.991 462 F HN -0.054 nan 8.300 nan 0.000 0.474 463 Q N 0.107 119.768 119.800 -0.232 0.000 2.077 463 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 463 Q C 1.949 177.857 176.000 -0.154 0.000 0.989 463 Q CA 1.802 57.426 55.803 -0.299 0.000 0.853 463 Q CB -0.544 28.063 28.738 -0.217 0.000 0.907 463 Q HN 0.418 nan 8.270 nan 0.000 0.418 464 N N 0.472 119.136 118.700 -0.060 0.000 2.192 464 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 464 N C 1.709 177.231 175.510 0.019 0.000 1.013 464 N CA 1.046 54.088 53.050 -0.013 0.000 0.863 464 N CB -0.174 38.319 38.487 0.009 0.000 0.990 464 N HN 0.261 nan 8.380 nan 0.000 0.430 465 I N 1.300 121.920 120.570 0.083 0.000 2.133 465 I HA -0.180 3.990 4.170 -0.000 0.000 0.238 465 I C 2.338 178.580 176.117 0.209 0.000 1.074 465 I CA 0.706 62.102 61.300 0.160 0.000 1.342 465 I CB -1.220 36.997 38.000 0.361 0.000 1.053 465 I HN 0.018 nan 8.210 nan 0.000 0.404 466 I N 1.116 121.813 120.570 0.211 0.000 2.113 466 I HA -0.370 3.800 4.170 -0.000 0.000 0.242 466 I C 2.643 178.911 176.117 0.251 0.000 1.057 466 I CA 1.930 63.387 61.300 0.262 0.000 1.314 466 I CB -0.383 37.525 38.000 -0.154 0.000 1.022 466 I HN 0.143 nan 8.210 nan 0.000 0.408 467 I N 0.371 120.992 120.570 0.085 0.000 2.179 467 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 467 I C 2.762 178.924 176.117 0.075 0.000 1.088 467 I CA 1.801 63.150 61.300 0.081 0.000 1.357 467 I CB -0.490 37.517 38.000 0.012 0.000 1.051 467 I HN 0.357 nan 8.210 nan 0.000 0.409 468 S N 0.109 115.808 115.700 -0.001 0.000 2.419 468 S HA -0.224 4.246 4.470 -0.000 0.000 0.235 468 S C 2.013 176.557 174.600 -0.093 0.000 1.019 468 S CA 1.098 59.246 58.200 -0.088 0.000 0.982 468 S CB -0.869 62.223 63.200 -0.181 0.000 0.789 468 S HN 0.504 nan 8.310 nan 0.000 0.490 469 Y N 2.402 122.772 120.300 0.118 0.000 2.243 469 Y HA 0.284 4.834 4.550 -0.000 0.000 0.293 469 Y C 1.918 177.860 175.900 0.070 0.000 1.124 469 Y CA 0.401 58.551 58.100 0.084 0.000 1.159 469 Y CB -0.687 37.828 38.460 0.093 0.000 1.008 469 Y HN 0.622 nan 8.280 nan 0.000 0.527 470 G N 0.140 109.111 108.800 0.284 0.000 2.814 470 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.677 470 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.677 470 G C -1.928 172.884 174.900 -0.147 0.000 1.429 470 G CA -0.462 44.682 45.100 0.075 0.000 0.868 470 G HN 0.130 nan 8.290 nan 0.000 0.553 471 P HA -0.161 nan 4.420 nan 0.000 0.218 471 P C 2.009 179.113 177.300 -0.328 0.000 1.146 471 P CA 2.171 64.597 63.100 -1.123 0.000 0.813 471 P CB -0.125 31.122 31.700 -0.755 0.000 0.778 472 S N -0.012 115.585 115.700 -0.171 0.000 2.400 472 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 472 S C 1.805 176.320 174.600 -0.142 0.000 1.025 472 S CA 0.915 59.056 58.200 -0.098 0.000 0.993 472 S CB -0.609 62.553 63.200 -0.063 0.000 0.808 472 S HN -0.011 nan 8.310 nan 0.000 0.478 473 R N -0.225 120.130 120.500 -0.241 0.000 2.320 473 R HA 0.222 4.562 4.340 -0.000 0.000 0.211 473 R C -0.113 175.721 176.300 -0.776 0.000 0.931 473 R CA 0.216 55.971 56.100 -0.573 0.000 1.071 473 R CB -0.661 29.101 30.300 -0.897 0.000 1.025 473 R HN 0.555 nan 8.270 nan 0.000 0.495 474 F N -0.754 119.140 119.950 -0.093 0.000 2.775 474 F HA 0.249 4.776 4.527 -0.000 0.000 0.313 474 F C 0.919 176.771 175.800 0.085 0.000 1.121 474 F CA -0.515 57.499 58.000 0.024 0.000 1.206 474 F CB 0.413 39.518 39.000 0.175 0.000 1.052 474 F HN -0.242 nan 8.300 nan 0.000 0.524 475 S N 2.098 117.879 115.700 0.135 0.000 2.558 475 S HA 0.039 4.509 4.470 -0.000 0.000 0.287 475 S C 1.166 175.883 174.600 0.195 0.000 1.321 475 S CA 0.761 59.051 58.200 0.150 0.000 1.048 475 S CB -0.022 63.225 63.200 0.078 0.000 0.844 475 S HN 0.772 nan 8.310 nan 0.000 0.512 476 N N 1.938 120.761 118.700 0.206 0.000 2.815 476 N HA -0.281 4.459 4.740 -0.000 0.000 0.247 476 N C -0.212 175.499 175.510 0.335 0.000 1.030 476 N CA 2.409 55.589 53.050 0.218 0.000 0.881 476 N CB -2.058 36.525 38.487 0.159 0.000 1.134 476 N HN 0.720 nan 8.380 nan 0.000 0.582 477 Y N -1.871 118.547 120.300 0.197 0.000 2.666 477 Y HA 0.274 4.824 4.550 -0.000 0.000 0.260 477 Y C 1.560 177.563 175.900 0.171 0.000 1.089 477 Y CA -0.639 57.580 58.100 0.197 0.000 1.246 477 Y CB 0.107 38.699 38.460 0.219 0.000 1.353 477 Y HN 0.170 nan 8.280 nan 0.000 0.558 478 Y N 0.283 120.587 120.300 0.007 0.000 2.114 478 Y HA -0.373 4.176 4.550 -0.000 0.000 0.282 478 Y C 2.269 177.926 175.900 -0.404 0.000 1.165 478 Y CA 2.012 59.940 58.100 -0.286 0.000 1.148 478 Y CB -0.102 38.091 38.460 -0.445 0.000 0.972 478 Y HN 0.219 nan 8.280 nan 0.000 0.504 479 L N 0.069 121.153 121.223 -0.231 0.000 1.971 479 L HA -0.371 3.969 4.340 -0.000 0.000 0.215 479 L C 2.296 178.953 176.870 -0.355 0.000 1.072 479 L CA 2.224 56.956 54.840 -0.180 0.000 0.758 479 L CB -0.543 41.608 42.059 0.153 0.000 0.889 479 L HN 0.354 nan 8.230 nan 0.000 0.433 480 Q N -0.797 118.745 119.800 -0.430 0.000 2.133 480 Q HA -0.270 4.070 4.340 -0.000 0.000 0.208 480 Q C 2.064 177.792 176.000 -0.454 0.000 0.991 480 Q CA 2.774 58.237 55.803 -0.566 0.000 0.867 480 Q CB -0.698 27.346 28.738 -1.157 0.000 0.911 480 Q HN 0.671 nan 8.270 nan 0.000 0.417 481 T N -1.082 113.190 114.554 -0.468 0.000 2.904 481 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 481 T C 1.687 176.108 174.700 -0.466 0.000 1.059 481 T CA 0.696 62.589 62.100 -0.345 0.000 1.137 481 T CB -0.129 68.523 68.868 -0.361 0.000 0.879 481 T HN 0.223 nan 8.240 nan 0.000 0.467 482 L N 0.074 120.920 121.223 -0.628 0.000 2.093 482 L HA 0.097 4.437 4.340 -0.000 0.000 0.208 482 L C 2.776 179.401 176.870 -0.408 0.000 1.085 482 L CA 0.955 55.449 54.840 -0.577 0.000 0.755 482 L CB -0.515 41.151 42.059 -0.655 0.000 0.904 482 L HN 0.272 nan 8.230 nan 0.000 0.435 483 L N -0.998 120.032 121.223 -0.321 0.000 2.005 483 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 483 L C 2.481 179.241 176.870 -0.183 0.000 1.072 483 L CA 0.669 55.386 54.840 -0.204 0.000 0.744 483 L CB -0.434 41.514 42.059 -0.185 0.000 0.895 483 L HN 0.206 nan 8.230 nan 0.000 0.433 484 L N 0.028 121.152 121.223 -0.166 0.000 2.127 484 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 484 L C 2.581 179.427 176.870 -0.041 0.000 1.089 484 L CA 2.059 56.867 54.840 -0.052 0.000 0.757 484 L CB -1.026 41.066 42.059 0.055 0.000 0.899 484 L HN 0.394 nan 8.230 nan 0.000 0.434 485 S N -2.156 113.444 115.700 -0.167 0.000 2.556 485 S HA 0.333 4.803 4.470 -0.000 0.000 0.216 485 S C 1.429 175.836 174.600 -0.321 0.000 0.970 485 S CA 0.243 58.326 58.200 -0.195 0.000 0.912 485 S CB 0.174 63.114 63.200 -0.433 0.000 0.790 485 S HN 0.507 nan 8.310 nan 0.000 0.504 486 G N 1.329 109.834 108.800 -0.492 0.000 2.143 486 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 486 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 486 G C -0.025 174.287 174.900 -0.979 0.000 0.991 486 G CA 0.221 44.772 45.100 -0.916 0.000 0.689 486 G HN 0.566 nan 8.290 nan 0.000 0.522 487 L N 0.915 121.735 121.223 -0.672 0.000 2.466 487 L HA 0.371 4.711 4.340 -0.000 0.000 0.248 487 L C 1.717 178.375 176.870 -0.353 0.000 1.240 487 L CA -0.814 53.750 54.840 -0.461 0.000 1.180 487 L CB -0.431 41.415 42.059 -0.356 0.000 1.413 487 L HN 0.306 nan 8.230 nan 0.000 0.406 488 Y N 0.804 120.985 120.300 -0.198 0.000 2.181 488 Y HA -0.190 4.360 4.550 -0.000 0.000 0.288 488 Y C 2.428 178.202 175.900 -0.210 0.000 1.146 488 Y CA 0.815 58.787 58.100 -0.213 0.000 1.164 488 Y CB -0.081 38.239 38.460 -0.234 0.000 0.982 488 Y HN 0.590 nan 8.280 nan 0.000 0.515 489 G N 0.567 109.333 108.800 -0.058 0.000 2.511 489 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 489 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 489 G C 1.559 176.439 174.900 -0.032 0.000 1.218 489 G CA 1.158 46.206 45.100 -0.086 0.000 0.788 489 G HN 0.306 nan 8.290 nan 0.000 0.560 490 L N 0.867 122.057 121.223 -0.055 0.000 2.129 490 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 490 L C 3.381 180.250 176.870 -0.001 0.000 1.087 490 L CA 0.972 55.798 54.840 -0.023 0.000 0.757 490 L CB -0.472 41.543 42.059 -0.074 0.000 0.896 490 L HN 0.346 nan 8.230 nan 0.000 0.434 491 A N 0.448 123.231 122.820 -0.062 0.000 1.873 491 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 491 A C 2.162 179.769 177.584 0.038 0.000 1.186 491 A CA 1.240 53.248 52.037 -0.048 0.000 0.616 491 A CB -0.414 18.526 19.000 -0.100 0.000 0.823 491 A HN 0.233 nan 8.150 nan 0.000 0.442 492 I N 0.567 121.153 120.570 0.027 0.000 2.151 492 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 492 I C 2.215 178.438 176.117 0.178 0.000 1.080 492 I CA 2.085 63.423 61.300 0.063 0.000 1.339 492 I CB -1.518 36.560 38.000 0.130 0.000 1.039 492 I HN 0.334 nan 8.210 nan 0.000 0.409 493 D N 0.089 120.610 120.400 0.203 0.000 2.092 493 D HA -0.277 4.363 4.640 -0.000 0.000 0.193 493 D C 2.252 178.696 176.300 0.239 0.000 0.994 493 D CA 1.474 55.616 54.000 0.236 0.000 0.828 493 D CB -0.338 40.550 40.800 0.147 0.000 0.963 493 D HN 0.430 nan 8.370 nan 0.000 0.450 494 Y N 0.622 120.982 120.300 0.099 0.000 2.181 494 Y HA -0.175 4.375 4.550 -0.000 0.000 0.288 494 Y C 2.223 178.134 175.900 0.017 0.000 1.146 494 Y CA 2.058 60.239 58.100 0.136 0.000 1.164 494 Y CB -0.374 38.211 38.460 0.207 0.000 0.982 494 Y HN -0.083 nan 8.280 nan 0.000 0.515 495 T N 0.016 114.447 114.554 -0.205 0.000 2.977 495 T HA -0.196 4.154 4.350 -0.000 0.000 0.271 495 T C 1.137 175.323 174.700 -0.857 0.000 1.105 495 T CA 1.359 63.021 62.100 -0.730 0.000 1.116 495 T CB -0.485 68.116 68.868 -0.445 0.000 0.878 495 T HN 0.434 nan 8.240 nan 0.000 0.509 496 Y N 1.734 121.798 120.300 -0.393 0.000 2.314 496 Y HA -0.101 4.449 4.550 -0.000 0.000 0.293 496 Y C 2.996 178.749 175.900 -0.246 0.000 1.129 496 Y CA 1.243 59.188 58.100 -0.258 0.000 1.201 496 Y CB -0.652 37.745 38.460 -0.105 0.000 0.999 496 Y HN 0.316 nan 8.280 nan 0.000 0.541 497 T N -1.899 112.596 114.554 -0.098 0.000 2.977 497 T HA -0.211 4.139 4.350 -0.000 0.000 0.271 497 T C 1.295 176.009 174.700 0.024 0.000 1.105 497 T CA 1.637 63.725 62.100 -0.021 0.000 1.116 497 T CB -0.885 67.979 68.868 -0.007 0.000 0.878 497 T HN 0.471 nan 8.240 nan 0.000 0.509 498 F N -0.544 119.349 119.950 -0.095 0.000 2.778 498 F HA 0.643 5.170 4.527 -0.000 0.000 0.314 498 F C 0.425 176.209 175.800 -0.025 0.000 1.073 498 F CA -0.628 57.336 58.000 -0.060 0.000 1.218 498 F CB 0.479 39.426 39.000 -0.087 0.000 1.037 498 F HN 0.188 nan 8.300 nan 0.000 0.594 499 S N 1.156 116.632 115.700 -0.373 0.000 2.614 499 S HA 0.144 4.614 4.470 -0.000 0.000 0.259 499 S C 0.324 174.763 174.600 -0.269 0.000 1.118 499 S CA -0.387 57.720 58.200 -0.155 0.000 1.065 499 S CB 0.694 63.913 63.200 0.031 0.000 1.121 499 S HN 0.460 nan 8.310 nan 0.000 0.458 500 E N 4.582 124.709 120.200 -0.121 0.000 2.077 500 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 500 E C 1.734 178.223 176.600 -0.186 0.000 0.989 500 E CA 1.469 57.765 56.400 -0.174 0.000 0.800 500 E CB -0.119 29.676 29.700 0.159 0.000 0.746 500 E HN 0.848 nan 8.360 nan 0.000 0.452 501 M N 0.880 120.480 119.600 -0.001 0.000 2.080 501 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 501 M C 1.408 177.801 176.300 0.156 0.000 1.068 501 M CA 2.118 57.464 55.300 0.077 0.000 1.109 501 M CB 0.015 32.698 32.600 0.139 0.000 1.342 501 M HN 0.083 nan 8.290 nan 0.000 0.405 502 D N 0.039 120.483 120.400 0.072 0.000 2.183 502 D HA -0.056 4.584 4.640 -0.000 0.000 0.203 502 D C 1.939 178.194 176.300 -0.075 0.000 0.969 502 D CA 1.365 55.445 54.000 0.132 0.000 0.842 502 D CB -0.086 40.824 40.800 0.182 0.000 0.957 502 D HN 0.520 nan 8.370 nan 0.000 0.484 503 A N 1.215 123.820 122.820 -0.358 0.000 1.877 503 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 503 A C 2.425 179.825 177.584 -0.307 0.000 1.186 503 A CA 1.544 53.271 52.037 -0.518 0.000 0.620 503 A CB -0.951 17.311 19.000 -1.230 0.000 0.822 503 A HN 0.188 nan 8.150 nan 0.000 0.443 504 V N 0.524 120.258 119.914 -0.299 0.000 2.237 504 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 504 V C 1.121 177.123 176.094 -0.154 0.000 1.046 504 V CA 1.891 64.049 62.300 -0.238 0.000 1.007 504 V CB -0.973 30.524 31.823 -0.543 0.000 0.638 504 V HN 0.691 nan 8.190 nan 0.000 0.445 505 H N 1.010 120.062 119.070 -0.030 0.000 2.848 505 H HA 0.424 4.980 4.556 -0.000 0.000 0.341 505 H C 0.916 176.205 175.328 -0.065 0.000 1.060 505 H CA 0.791 56.836 56.048 -0.005 0.000 1.444 505 H CB 1.171 30.889 29.762 -0.073 0.000 1.446 505 H HN 0.326 nan 8.280 nan 0.000 0.583 506 L N 1.162 122.382 121.223 -0.004 0.000 2.057 506 L HA -0.308 4.032 4.340 -0.000 0.000 0.489 506 L C 1.600 178.365 176.870 -0.175 0.000 0.713 506 L CA 1.707 56.324 54.840 -0.371 0.000 3.232 506 L CB -1.879 39.951 42.059 -0.382 0.000 0.661 506 L HN 0.647 nan 8.230 nan 0.000 0.772 507 A N 0.416 123.238 122.820 0.004 0.000 1.898 507 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 507 A C 1.963 179.650 177.584 0.172 0.000 1.181 507 A CA 2.125 54.291 52.037 0.215 0.000 0.620 507 A CB -0.462 18.774 19.000 0.394 0.000 0.819 507 A HN 0.570 nan 8.150 nan 0.000 0.442 508 I N -0.281 120.399 120.570 0.184 0.000 2.179 508 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 508 I C 2.740 178.845 176.117 -0.020 0.000 1.088 508 I CA 1.089 62.486 61.300 0.163 0.000 1.357 508 I CB -0.672 37.425 38.000 0.162 0.000 1.051 508 I HN 0.385 nan 8.210 nan 0.000 0.409 509 G N 1.241 110.047 108.800 0.011 0.000 2.476 509 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 509 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 509 G C 1.693 176.524 174.900 -0.114 0.000 1.164 509 G CA 0.826 45.926 45.100 0.001 0.000 0.768 509 G HN 0.293 nan 8.290 nan 0.000 0.560 510 L N 0.591 121.716 121.223 -0.163 0.000 2.093 510 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 510 L C 3.377 180.155 176.870 -0.153 0.000 1.085 510 L CA 0.903 55.623 54.840 -0.201 0.000 0.755 510 L CB -0.357 41.579 42.059 -0.205 0.000 0.904 510 L HN 0.308 nan 8.230 nan 0.000 0.435 511 A N 0.129 122.831 122.820 -0.195 0.000 1.898 511 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 511 A C 2.554 180.022 177.584 -0.192 0.000 1.181 511 A CA 1.812 53.620 52.037 -0.382 0.000 0.620 511 A CB -0.708 17.634 19.000 -1.096 0.000 0.819 511 A HN 0.488 nan 8.150 nan 0.000 0.442 512 S N -0.557 115.085 115.700 -0.096 0.000 2.399 512 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 512 S C 1.360 175.977 174.600 0.029 0.000 1.022 512 S CA 1.478 59.707 58.200 0.048 0.000 0.983 512 S CB -0.420 62.791 63.200 0.019 0.000 0.803 512 S HN 0.223 nan 8.310 nan 0.000 0.480 513 L N 1.215 122.418 121.223 -0.034 0.000 2.612 513 L HA 0.359 4.699 4.340 -0.000 0.000 0.230 513 L C 0.835 177.670 176.870 -0.058 0.000 1.140 513 L CA 0.343 55.161 54.840 -0.036 0.000 0.896 513 L CB -0.609 41.410 42.059 -0.066 0.000 1.065 513 L HN 0.192 nan 8.230 nan 0.000 0.447 514 K N -1.332 119.029 120.400 -0.065 0.000 3.230 514 K HA -0.220 4.100 4.320 -0.000 0.000 0.285 514 K C 0.767 177.314 176.600 -0.088 0.000 1.196 514 K CA 0.383 56.635 56.287 -0.057 0.000 0.838 514 K CB -1.854 30.631 32.500 -0.025 0.000 1.262 514 K HN 0.204 nan 8.250 nan 0.000 0.492 515 L N -0.727 120.391 121.223 -0.175 0.000 2.529 515 L HA 0.253 4.593 4.340 -0.000 0.000 0.223 515 L C 1.150 177.846 176.870 -0.289 0.000 1.113 515 L CA 0.886 55.523 54.840 -0.340 0.000 0.861 515 L CB -0.059 41.560 42.059 -0.734 0.000 1.012 515 L HN 0.248 nan 8.230 nan 0.000 0.461 530 R N 1.971 122.325 120.500 -0.243 0.000 2.307 530 R HA 0.112 4.452 4.340 -0.000 0.000 0.199 530 R C -0.104 176.147 176.300 -0.082 0.000 1.000 530 R CA 0.827 56.859 56.100 -0.114 0.000 1.023 530 R CB -0.037 30.225 30.300 -0.063 0.000 0.908 530 R HN 0.313 nan 8.270 nan 0.000 0.473 531 D N 0.414 120.750 120.400 -0.106 0.000 2.427 531 D HA 0.056 4.696 4.640 -0.000 0.000 0.226 531 D C 0.025 176.324 176.300 -0.000 0.000 1.076 531 D CA -0.455 53.522 54.000 -0.039 0.000 0.849 531 D CB 0.897 41.678 40.800 -0.031 0.000 1.052 531 D HN 0.099 nan 8.370 nan 0.000 0.515 532 I N 1.274 121.884 120.570 0.068 0.000 3.856 532 I HA 0.255 4.425 4.170 -0.000 0.000 0.330 532 I C 0.732 177.052 176.117 0.338 0.000 1.546 532 I CA -0.832 60.580 61.300 0.186 0.000 1.132 532 I CB -0.149 37.940 38.000 0.147 0.000 1.157 532 I HN 0.101 nan 8.210 nan 0.000 0.440 533 R N 0.420 121.079 120.500 0.265 0.000 2.590 533 R HA 0.071 4.411 4.340 -0.000 0.000 0.274 533 R C 0.477 176.996 176.300 0.364 0.000 1.061 533 R CA -0.254 56.056 56.100 0.350 0.000 1.081 533 R CB 0.470 30.891 30.300 0.202 0.000 0.984 533 R HN 0.347 nan 8.270 nan 0.000 0.448 534 F N 2.390 122.427 119.950 0.145 0.000 2.095 534 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 534 F C 2.287 178.052 175.800 -0.058 0.000 1.104 534 F CA 2.040 59.934 58.000 -0.177 0.000 1.232 534 F CB -0.004 38.588 39.000 -0.679 0.000 0.987 534 F HN 0.774 nan 8.300 nan 0.000 0.475 535 A N 0.188 122.974 122.820 -0.056 0.000 1.933 535 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 535 A C 1.879 179.414 177.584 -0.083 0.000 1.175 535 A CA 1.977 53.942 52.037 -0.120 0.000 0.628 535 A CB -0.898 18.090 19.000 -0.019 0.000 0.814 535 A HN 0.473 nan 8.150 nan 0.000 0.444 536 N N 0.489 119.183 118.700 -0.009 0.000 2.084 536 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 536 N C 1.706 177.227 175.510 0.019 0.000 1.030 536 N CA 1.750 54.807 53.050 0.012 0.000 0.849 536 N CB -0.483 38.027 38.487 0.038 0.000 1.012 536 N HN 0.714 nan 8.380 nan 0.000 0.423 537 I N -2.271 118.324 120.570 0.042 0.000 3.001 537 I HA -0.054 4.116 4.170 -0.000 0.000 0.268 537 I C 1.200 177.346 176.117 0.048 0.000 1.267 537 I CA 0.967 62.333 61.300 0.110 0.000 1.472 537 I CB -0.085 38.065 38.000 0.250 0.000 1.089 537 I HN -0.025 nan 8.210 nan 0.000 0.468 538 L N 1.539 122.714 121.223 -0.081 0.000 2.286 538 L HA 0.324 4.664 4.340 -0.000 0.000 0.203 538 L C 2.769 179.667 176.870 0.047 0.000 1.068 538 L CA 1.789 56.597 54.840 -0.054 0.000 0.811 538 L CB -0.813 41.060 42.059 -0.310 0.000 0.989 538 L HN 0.239 nan 8.230 nan 0.000 0.467 539 A N -0.057 122.757 122.820 -0.010 0.000 1.858 539 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 539 A C 2.015 179.590 177.584 -0.015 0.000 1.190 539 A CA 1.841 53.867 52.037 -0.017 0.000 0.617 539 A CB -0.717 18.270 19.000 -0.023 0.000 0.827 539 A HN 0.523 nan 8.150 nan 0.000 0.443 540 N N -1.083 117.633 118.700 0.026 0.000 2.094 540 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 540 N C 1.581 177.145 175.510 0.091 0.000 1.023 540 N CA 1.863 54.942 53.050 0.047 0.000 0.857 540 N CB -0.798 37.733 38.487 0.073 0.000 1.013 540 N HN 0.758 nan 8.380 nan 0.000 0.426 541 Y N 1.454 121.751 120.300 -0.005 0.000 2.151 541 Y HA -0.260 4.289 4.550 -0.000 0.000 0.284 541 Y C 2.411 178.209 175.900 -0.170 0.000 1.166 541 Y CA 1.485 59.598 58.100 0.022 0.000 1.163 541 Y CB -0.210 38.279 38.460 0.049 0.000 0.974 541 Y HN 0.006 nan 8.280 nan 0.000 0.511 542 T N 0.223 114.556 114.554 -0.369 0.000 2.833 542 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 542 T C 1.623 175.888 174.700 -0.726 0.000 1.054 542 T CA 1.343 62.925 62.100 -0.865 0.000 1.135 542 T CB -0.161 68.464 68.868 -0.404 0.000 0.869 542 T HN 0.134 nan 8.240 nan 0.000 0.466 543 K N 1.443 121.638 120.400 -0.342 0.000 2.107 543 K HA -0.047 4.273 4.320 -0.000 0.000 0.211 543 K C 2.436 178.919 176.600 -0.196 0.000 1.049 543 K CA 1.321 57.491 56.287 -0.195 0.000 0.927 543 K CB -0.800 31.653 32.500 -0.080 0.000 0.714 543 K HN 0.221 nan 8.250 nan 0.000 0.452 544 S N -0.308 115.251 115.700 -0.235 0.000 2.447 544 S HA -0.057 4.413 4.470 -0.000 0.000 0.233 544 S C 1.158 175.702 174.600 -0.093 0.000 1.006 544 S CA 1.188 59.320 58.200 -0.113 0.000 0.957 544 S CB -0.156 63.039 63.200 -0.008 0.000 0.773 544 S HN 0.520 nan 8.310 nan 0.000 0.507 545 F N -0.187 119.629 119.950 -0.223 0.000 2.915 545 F HA 0.428 4.955 4.527 -0.000 0.000 0.347 545 F C 1.347 177.084 175.800 -0.106 0.000 1.104 545 F CA -0.821 57.037 58.000 -0.237 0.000 1.126 545 F CB -0.182 38.526 39.000 -0.486 0.000 1.145 545 F HN -0.054 nan 8.300 nan 0.000 0.541 546 R N -0.183 120.115 120.500 -0.337 0.000 2.193 546 R HA -0.140 4.200 4.340 -0.000 0.000 0.229 546 R C 0.748 176.933 176.300 -0.191 0.000 1.110 546 R CA 1.755 57.693 56.100 -0.271 0.000 0.988 546 R CB -1.031 29.031 30.300 -0.397 0.000 0.871 546 R HN 0.413 nan 8.270 nan 0.000 0.458 547 Y N 1.462 121.716 120.300 -0.077 0.000 2.397 547 Y HA 0.006 4.556 4.550 -0.000 0.000 0.292 547 Y C 2.785 178.668 175.900 -0.029 0.000 1.115 547 Y CA 1.479 59.544 58.100 -0.059 0.000 1.208 547 Y CB 0.427 38.846 38.460 -0.069 0.000 1.046 547 Y HN 0.271 nan 8.280 nan 0.000 0.552 548 S N -1.697 114.086 115.700 0.139 0.000 2.470 548 S HA 0.042 4.512 4.470 -0.000 0.000 0.222 548 S C 0.073 174.732 174.600 0.098 0.000 1.024 548 S CA 0.559 58.812 58.200 0.088 0.000 0.931 548 S CB 0.025 63.253 63.200 0.046 0.000 0.791 548 S HN 0.243 nan 8.310 nan 0.000 0.513 549 D N 1.891 122.383 120.400 0.154 0.000 2.656 549 D HA 0.284 4.924 4.640 -0.000 0.000 0.303 549 D C -2.152 174.285 176.300 0.227 0.000 1.199 549 D CA -1.297 52.831 54.000 0.213 0.000 0.797 549 D CB 1.612 42.614 40.800 0.338 0.000 1.170 549 D HN 0.134 nan 8.370 nan 0.000 0.509 550 P HA -0.221 nan 4.420 nan 0.000 0.218 550 P C 1.411 178.777 177.300 0.110 0.000 1.148 550 P CA 0.982 64.115 63.100 0.055 0.000 0.822 550 P CB 0.334 32.023 31.700 -0.018 0.000 0.784 551 R N -0.055 120.522 120.500 0.130 0.000 2.115 551 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 551 R C 1.842 178.272 176.300 0.218 0.000 1.100 551 R CA 1.118 57.304 56.100 0.144 0.000 0.980 551 R CB -1.422 28.945 30.300 0.111 0.000 0.875 551 R HN -0.030 nan 8.270 nan 0.000 0.445 552 V N 1.674 121.758 119.914 0.282 0.000 2.358 552 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 552 V C 2.726 179.165 176.094 0.575 0.000 1.047 552 V CA 1.757 64.296 62.300 0.398 0.000 1.035 552 V CB -0.748 31.301 31.823 0.377 0.000 0.658 552 V HN 0.574 nan 8.190 nan 0.000 0.452 553 A N 0.155 123.275 122.820 0.499 0.000 1.917 553 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 553 A C 2.414 180.166 177.584 0.280 0.000 1.182 553 A CA 2.332 54.566 52.037 0.329 0.000 0.633 553 A CB -0.807 18.220 19.000 0.046 0.000 0.819 553 A HN 0.348 nan 8.150 nan 0.000 0.448 554 V N 0.437 120.480 119.914 0.215 0.000 2.287 554 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 554 V C 2.545 178.741 176.094 0.169 0.000 1.053 554 V CA 2.187 64.584 62.300 0.161 0.000 1.027 554 V CB -0.823 31.074 31.823 0.124 0.000 0.646 554 V HN 0.554 nan 8.190 nan 0.000 0.447 555 E N -0.469 119.856 120.200 0.208 0.000 2.097 555 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 555 E C 2.067 178.679 176.600 0.021 0.000 1.000 555 E CA 1.907 58.367 56.400 0.099 0.000 0.804 555 E CB -0.441 29.324 29.700 0.107 0.000 0.740 555 E HN 0.776 nan 8.360 nan 0.000 0.454 556 Y N 0.349 120.768 120.300 0.199 0.000 2.365 556 Y HA 0.028 4.578 4.550 -0.000 0.000 0.293 556 Y C 2.428 178.373 175.900 0.075 0.000 1.119 556 Y CA 0.466 58.675 58.100 0.181 0.000 1.203 556 Y CB -0.219 38.433 38.460 0.319 0.000 1.026 556 Y HN -0.058 nan 8.280 nan 0.000 0.549 557 L N -0.364 120.978 121.223 0.199 0.000 2.201 557 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 557 L C 2.274 179.179 176.870 0.058 0.000 1.105 557 L CA 1.000 55.896 54.840 0.094 0.000 0.775 557 L CB -0.689 41.417 42.059 0.079 0.000 0.913 557 L HN 0.223 nan 8.230 nan 0.000 0.440 558 V N -3.970 115.977 119.914 0.055 0.000 2.809 558 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 558 V C 2.265 178.378 176.094 0.032 0.000 1.080 558 V CA 0.733 63.051 62.300 0.029 0.000 1.102 558 V CB -0.591 31.230 31.823 -0.003 0.000 0.705 558 V HN 0.213 nan 8.190 nan 0.000 0.475 559 L N 0.204 121.450 121.223 0.039 0.000 2.349 559 L HA -0.021 4.319 4.340 -0.000 0.000 0.220 559 L C 2.298 179.257 176.870 0.148 0.000 1.130 559 L CA 1.415 56.320 54.840 0.109 0.000 0.791 559 L CB -1.101 41.028 42.059 0.117 0.000 0.918 559 L HN 0.337 nan 8.230 nan 0.000 0.444 560 I N -0.473 120.122 120.570 0.041 0.000 2.335 560 I HA -0.319 3.851 4.170 -0.000 0.000 0.251 560 I C 1.996 178.169 176.117 0.092 0.000 1.129 560 I CA 1.726 63.050 61.300 0.040 0.000 1.402 560 I CB -0.454 37.545 38.000 -0.002 0.000 1.069 560 I HN 0.389 nan 8.210 nan 0.000 0.424 561 T N -1.135 113.459 114.554 0.067 0.000 3.160 561 T HA 0.057 4.407 4.350 -0.000 0.000 0.257 561 T C 1.693 176.403 174.700 0.017 0.000 1.147 561 T CA 0.221 62.322 62.100 0.002 0.000 1.064 561 T CB -0.364 68.548 68.868 0.073 0.000 0.949 561 T HN 0.269 nan 8.240 nan 0.000 0.526 562 L N 0.952 122.228 121.223 0.089 0.000 2.042 562 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 562 L C 2.520 179.386 176.870 -0.006 0.000 1.076 562 L CA 1.661 56.537 54.840 0.060 0.000 0.749 562 L CB -0.776 41.337 42.059 0.091 0.000 0.893 562 L HN 0.305 nan 8.230 nan 0.000 0.432 563 N N -0.033 118.658 118.700 -0.015 0.000 2.061 563 N HA -0.248 4.492 4.740 -0.000 0.000 0.193 563 N C 0.764 176.236 175.510 -0.064 0.000 1.030 563 N CA 1.538 54.566 53.050 -0.036 0.000 0.856 563 N CB -0.048 38.435 38.487 -0.006 0.000 1.023 563 N HN 0.267 nan 8.380 nan 0.000 0.424 564 E N -2.626 117.492 120.200 -0.136 0.000 4.005 564 E HA -0.168 4.182 4.350 -0.000 0.000 0.349 564 E C 0.404 176.886 176.600 -0.197 0.000 0.635 564 E CA 0.637 56.884 56.400 -0.255 0.000 1.238 564 E CB -1.836 27.789 29.700 -0.126 0.000 1.698 564 E HN 0.464 nan 8.360 nan 0.000 0.418 565 G N 1.779 110.512 108.800 -0.110 0.000 2.225 565 G HA2 0.159 4.119 3.960 -0.000 0.000 0.245 565 G HA3 0.159 4.119 3.960 -0.000 0.000 0.245 565 G C -1.525 173.317 174.900 -0.098 0.000 1.249 565 G CA -0.266 44.788 45.100 -0.077 0.000 0.919 565 G HN -0.037 nan 8.290 nan 0.000 0.486 566 P HA -0.182 nan 4.420 nan 0.000 0.217 566 P C 2.137 179.383 177.300 -0.090 0.000 1.151 566 P CA 1.647 64.694 63.100 -0.088 0.000 0.849 566 P CB 0.190 31.856 31.700 -0.057 0.000 0.787 567 T N -0.975 113.541 114.554 -0.062 0.000 2.849 567 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 567 T C 1.181 175.848 174.700 -0.055 0.000 1.066 567 T CA 1.765 63.836 62.100 -0.049 0.000 1.130 567 T CB -0.701 68.153 68.868 -0.024 0.000 0.864 567 T HN 0.255 nan 8.240 nan 0.000 0.481 568 D N -0.096 120.267 120.400 -0.063 0.000 2.433 568 D HA 0.071 4.711 4.640 -0.000 0.000 0.211 568 D C 1.750 178.004 176.300 -0.077 0.000 1.114 568 D CA 0.105 54.076 54.000 -0.048 0.000 0.837 568 D CB -0.406 40.387 40.800 -0.011 0.000 0.984 568 D HN 0.337 nan 8.370 nan 0.000 0.505 569 V N 0.660 120.491 119.914 -0.139 0.000 2.358 569 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 569 V C 2.583 178.513 176.094 -0.274 0.000 1.047 569 V CA 1.929 64.119 62.300 -0.184 0.000 1.035 569 V CB -0.678 31.001 31.823 -0.239 0.000 0.658 569 V HN 0.179 nan 8.190 nan 0.000 0.452 570 E N 0.667 120.711 120.200 -0.260 0.000 2.110 570 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 570 E C 1.993 178.563 176.600 -0.050 0.000 0.988 570 E CA 1.400 57.667 56.400 -0.221 0.000 0.804 570 E CB -0.437 29.183 29.700 -0.134 0.000 0.745 570 E HN 0.580 nan 8.360 nan 0.000 0.458 571 L N -0.364 120.847 121.223 -0.020 0.000 2.131 571 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 571 L C 2.687 179.595 176.870 0.062 0.000 1.092 571 L CA 1.096 55.950 54.840 0.022 0.000 0.759 571 L CB -0.473 41.592 42.059 0.010 0.000 0.903 571 L HN 0.383 nan 8.230 nan 0.000 0.435 572 C N -0.602 118.751 119.300 0.088 0.000 2.466 572 C HA -0.146 4.314 4.460 -0.000 0.000 0.278 572 C C 2.747 177.862 174.990 0.209 0.000 1.288 572 C CA 0.622 59.719 59.018 0.132 0.000 1.722 572 C CB -0.844 26.981 27.740 0.142 0.000 2.017 572 C HN 0.508 nan 8.230 nan 0.000 0.488 573 H N -0.338 118.747 119.070 0.025 0.000 2.353 573 H HA -0.095 4.461 4.556 -0.000 0.000 0.300 573 H C 2.182 177.608 175.328 0.163 0.000 1.090 573 H CA 1.442 57.563 56.048 0.123 0.000 1.327 573 H CB -0.061 29.750 29.762 0.081 0.000 1.383 573 H HN 0.503 nan 8.280 nan 0.000 0.508 574 E N 0.839 121.173 120.200 0.223 0.000 2.106 574 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 574 E C 2.405 179.061 176.600 0.092 0.000 0.984 574 E CA 0.731 57.210 56.400 0.133 0.000 0.806 574 E CB -0.137 29.613 29.700 0.082 0.000 0.750 574 E HN 0.420 nan 8.360 nan 0.000 0.458 575 A N 0.891 123.762 122.820 0.085 0.000 1.898 575 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 575 A C 2.357 179.970 177.584 0.048 0.000 1.181 575 A CA 0.984 53.049 52.037 0.047 0.000 0.620 575 A CB -0.631 18.390 19.000 0.034 0.000 0.819 575 A HN 0.189 nan 8.150 nan 0.000 0.442 576 L N -1.190 120.088 121.223 0.092 0.000 2.093 576 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 576 L C 2.738 179.646 176.870 0.063 0.000 1.085 576 L CA 1.510 56.404 54.840 0.090 0.000 0.755 576 L CB -0.416 41.741 42.059 0.164 0.000 0.904 576 L HN 0.430 nan 8.230 nan 0.000 0.435 577 R N 0.521 121.074 120.500 0.089 0.000 2.073 577 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 577 R C 2.163 178.471 176.300 0.013 0.000 1.134 577 R CA 1.711 57.837 56.100 0.043 0.000 0.952 577 R CB -0.087 30.259 30.300 0.075 0.000 0.850 577 R HN 0.356 nan 8.270 nan 0.000 0.433 578 E N 0.468 120.676 120.200 0.014 0.000 2.085 578 E HA -0.225 4.124 4.350 -0.000 0.000 0.194 578 E C 2.046 178.612 176.600 -0.057 0.000 0.994 578 E CA 1.217 57.608 56.400 -0.015 0.000 0.801 578 E CB -0.095 29.596 29.700 -0.015 0.000 0.743 578 E HN 0.334 nan 8.360 nan 0.000 0.453 579 L N 0.529 121.714 121.223 -0.064 0.000 2.017 579 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 579 L C 2.341 179.133 176.870 -0.130 0.000 1.073 579 L CA 1.250 56.018 54.840 -0.120 0.000 0.745 579 L CB -0.249 41.761 42.059 -0.082 0.000 0.894 579 L HN 0.112 nan 8.230 nan 0.000 0.432 580 V N 0.302 120.176 119.914 -0.067 0.000 2.237 580 V HA -0.329 3.791 4.120 -0.000 0.000 0.245 580 V C 2.519 178.591 176.094 -0.038 0.000 1.046 580 V CA 1.761 64.036 62.300 -0.041 0.000 1.007 580 V CB -0.436 31.402 31.823 0.024 0.000 0.638 580 V HN 0.377 nan 8.190 nan 0.000 0.445 581 L N -0.407 120.815 121.223 -0.002 0.000 2.042 581 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 581 L C 2.547 179.408 176.870 -0.015 0.000 1.076 581 L CA 1.938 56.792 54.840 0.024 0.000 0.749 581 L CB -0.561 41.508 42.059 0.017 0.000 0.893 581 L HN 0.419 nan 8.230 nan 0.000 0.432 582 E N -1.369 118.793 120.200 -0.062 0.000 2.102 582 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 582 E C 2.099 178.645 176.600 -0.090 0.000 0.971 582 E CA 1.152 57.521 56.400 -0.051 0.000 0.821 582 E CB 0.065 29.735 29.700 -0.050 0.000 0.777 582 E HN 0.204 nan 8.360 nan 0.000 0.460 583 T N -0.157 114.243 114.554 -0.257 0.000 3.023 583 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 583 T C 0.481 175.025 174.700 -0.261 0.000 1.093 583 T CA 0.655 62.562 62.100 -0.321 0.000 1.129 583 T CB -0.074 68.532 68.868 -0.437 0.000 0.899 583 T HN 0.085 nan 8.240 nan 0.000 0.491 584 K N 0.907 121.055 120.400 -0.420 0.000 3.048 584 K HA -0.137 4.183 4.320 -0.000 0.000 0.274 584 K C -0.407 175.530 176.600 -1.105 0.000 1.098 584 K CA 0.626 56.346 56.287 -0.944 0.000 0.807 584 K CB -0.728 31.463 32.500 -0.515 0.000 1.217 584 K HN 0.392 nan 8.250 nan 0.000 0.477 585 E N 0.913 120.744 120.200 -0.615 0.000 2.594 585 E HA 0.034 4.384 4.350 -0.000 0.000 0.300 585 E C 0.283 176.736 176.600 -0.246 0.000 1.568 585 E CA 0.200 56.392 56.400 -0.345 0.000 1.811 585 E CB -0.438 29.160 29.700 -0.170 0.000 1.458 585 E HN 0.218 nan 8.360 nan 0.000 0.470 586 F N 0.865 120.809 119.950 -0.011 0.000 2.696 586 F HA -0.240 4.287 4.527 -0.000 0.000 0.319 586 F C 2.374 178.173 175.800 -0.001 0.000 1.218 586 F CA 1.010 59.001 58.000 -0.014 0.000 1.369 586 F CB -0.139 38.852 39.000 -0.016 0.000 1.111 586 F HN 0.317 nan 8.300 nan 0.000 0.615 587 T N -3.061 111.623 114.554 0.215 0.000 12.724 587 T HA -0.359 3.991 4.350 -0.000 0.000 0.418 587 T C 1.045 175.794 174.700 0.081 0.000 1.446 587 T CA 1.069 63.241 62.100 0.119 0.000 2.382 587 T CB -2.040 66.890 68.868 0.103 0.000 2.829 587 T HN 0.366 nan 8.240 nan 0.000 0.744 588 V N 2.594 122.546 119.914 0.064 0.000 2.237 588 V HA -0.004 4.116 4.120 -0.000 0.000 0.245 588 V C 2.893 179.021 176.094 0.056 0.000 1.046 588 V CA 2.605 64.934 62.300 0.050 0.000 1.007 588 V CB -0.732 31.110 31.823 0.032 0.000 0.638 588 V HN 0.626 nan 8.190 nan 0.000 0.445 589 L N -1.326 119.929 121.223 0.054 0.000 2.131 589 L HA -0.025 4.315 4.340 -0.000 0.000 0.206 589 L C 2.102 179.009 176.870 0.062 0.000 1.087 589 L CA 1.226 56.098 54.840 0.053 0.000 0.767 589 L CB -0.206 41.870 42.059 0.029 0.000 0.917 589 L HN 0.298 nan 8.230 nan 0.000 0.441 590 L N -1.928 119.345 121.223 0.084 0.000 2.577 590 L HA 0.406 4.746 4.340 -0.000 0.000 0.225 590 L C 0.879 177.779 176.870 0.050 0.000 1.053 590 L CA 0.374 55.248 54.840 0.058 0.000 0.866 590 L CB 0.548 42.645 42.059 0.063 0.000 1.132 590 L HN 0.338 nan 8.230 nan 0.000 0.486 591 G N 0.540 109.381 108.800 0.067 0.000 2.331 591 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.402 591 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.402 591 G C -1.571 173.367 174.900 0.063 0.000 1.275 591 G CA -0.770 44.365 45.100 0.059 0.000 1.003 591 G HN -0.067 nan 8.290 nan 0.000 0.500 592 K N -0.296 120.139 120.400 0.058 0.000 2.501 592 K HA 0.588 4.907 4.320 -0.000 0.000 0.252 592 K C -0.557 176.079 176.600 0.059 0.000 0.934 592 K CA -0.979 55.342 56.287 0.058 0.000 0.797 592 K CB 1.349 33.880 32.500 0.051 0.000 1.270 592 K HN 0.504 nan 8.250 nan 0.000 0.431 593 I N 3.167 123.773 120.570 0.061 0.000 2.307 593 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 593 I C 0.915 177.054 176.117 0.037 0.000 1.021 593 I CA -0.526 60.812 61.300 0.064 0.000 1.224 593 I CB 0.541 38.598 38.000 0.095 0.000 1.376 593 I HN 0.662 nan 8.210 nan 0.000 0.470 594 G N 5.493 114.312 108.800 0.032 0.000 2.554 594 G HA2 0.090 4.050 3.960 -0.000 0.000 0.238 594 G HA3 0.090 4.050 3.960 -0.000 0.000 0.238 594 G C 0.981 175.879 174.900 -0.003 0.000 1.259 594 G CA -0.444 44.664 45.100 0.014 0.000 0.843 594 G HN 0.575 nan 8.290 nan 0.000 0.582 595 R N 0.829 121.322 120.500 -0.013 0.000 2.249 595 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 595 R C 1.766 178.045 176.300 -0.035 0.000 1.121 595 R CA 0.945 57.026 56.100 -0.030 0.000 0.997 595 R CB -0.680 29.604 30.300 -0.027 0.000 0.867 595 R HN 0.757 nan 8.270 nan 0.000 0.465 596 D N -0.190 120.198 120.400 -0.020 0.000 2.126 596 D HA -0.166 4.474 4.640 -0.000 0.000 0.190 596 D C 1.105 177.388 176.300 -0.027 0.000 1.001 596 D CA 2.534 56.524 54.000 -0.017 0.000 0.841 596 D CB -0.102 40.698 40.800 -0.001 0.000 0.949 596 D HN 0.407 nan 8.370 nan 0.000 0.446 597 G N -1.677 107.113 108.800 -0.017 0.000 2.148 597 G HA2 0.022 3.982 3.960 -0.000 0.000 0.157 597 G HA3 0.022 3.982 3.960 -0.000 0.000 0.157 597 G C 0.197 175.130 174.900 0.056 0.000 1.012 597 G CA 0.361 45.447 45.100 -0.023 0.000 0.677 597 G HN 0.683 nan 8.290 nan 0.000 0.506 598 A N 0.583 123.429 122.820 0.043 0.000 2.363 598 A HA 0.713 5.033 4.320 -0.000 0.000 0.270 598 A C 0.775 178.402 177.584 0.072 0.000 1.121 598 A CA -0.312 51.758 52.037 0.055 0.000 0.800 598 A CB 0.381 19.403 19.000 0.037 0.000 1.052 598 A HN 0.301 nan 8.150 nan 0.000 0.493 599 R N 2.384 122.937 120.500 0.087 0.000 2.309 599 R HA 0.171 4.511 4.340 -0.000 0.000 0.331 599 R C -0.820 175.519 176.300 0.065 0.000 1.116 599 R CA 0.218 56.372 56.100 0.090 0.000 0.970 599 R CB -0.155 30.205 30.300 0.100 0.000 1.024 599 R HN 0.650 nan 8.270 nan 0.000 0.472 600 I N 6.410 127.015 120.570 0.058 0.000 2.337 600 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 600 I C -1.634 174.513 176.117 0.049 0.000 1.046 600 I CA -2.074 59.255 61.300 0.048 0.000 1.324 600 I CB 1.084 39.110 38.000 0.042 0.000 1.409 600 I HN 0.192 nan 8.210 nan 0.000 0.494 601 P HA 0.059 nan 4.420 nan 0.000 0.267 601 P C 0.142 177.471 177.300 0.049 0.000 1.200 601 P CA 0.011 63.138 63.100 0.046 0.000 0.772 601 P CB 0.752 32.478 31.700 0.042 0.000 0.855 602 G N 0.808 109.638 108.800 0.050 0.000 2.537 602 G HA2 0.271 4.231 3.960 -0.000 0.000 0.297 602 G HA3 0.271 4.231 3.960 -0.000 0.000 0.297 602 G C 1.070 176.005 174.900 0.060 0.000 1.310 602 G CA -0.658 44.475 45.100 0.056 0.000 1.027 602 G HN 0.283 nan 8.290 nan 0.000 0.505 603 V N 0.057 120.012 119.914 0.067 0.000 2.343 603 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 603 V C 2.834 178.972 176.094 0.073 0.000 1.051 603 V CA 1.630 63.977 62.300 0.079 0.000 1.036 603 V CB -0.635 31.243 31.823 0.092 0.000 0.654 603 V HN 0.584 nan 8.190 nan 0.000 0.451 604 I N -0.315 120.297 120.570 0.071 0.000 2.226 604 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 604 I C 2.532 178.698 176.117 0.082 0.000 1.100 604 I CA 1.948 63.298 61.300 0.083 0.000 1.374 604 I CB -0.369 37.685 38.000 0.090 0.000 1.057 604 I HN 0.398 nan 8.210 nan 0.000 0.413 605 E N 1.091 121.333 120.200 0.069 0.000 2.110 605 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 605 E C 2.011 178.635 176.600 0.041 0.000 0.988 605 E CA 1.313 57.750 56.400 0.061 0.000 0.804 605 E CB 0.064 29.794 29.700 0.051 0.000 0.745 605 E HN 0.464 nan 8.360 nan 0.000 0.458 606 E N -0.306 119.918 120.200 0.039 0.000 2.153 606 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 606 E C 1.646 178.244 176.600 -0.003 0.000 0.988 606 E CA 0.662 57.077 56.400 0.025 0.000 0.811 606 E CB 0.151 29.879 29.700 0.047 0.000 0.746 606 E HN 0.141 nan 8.360 nan 0.000 0.466 607 R N 0.317 120.818 120.500 0.001 0.000 2.393 607 R HA 0.110 4.450 4.340 -0.000 0.000 0.244 607 R C 1.636 177.912 176.300 -0.040 0.000 0.920 607 R CA -0.093 55.986 56.100 -0.035 0.000 1.076 607 R CB 0.230 30.514 30.300 -0.027 0.000 1.119 607 R HN 0.220 nan 8.270 nan 0.000 0.524 608 Q N 0.975 120.765 119.800 -0.017 0.000 2.103 608 Q HA -0.187 4.153 4.340 -0.000 0.000 0.213 608 Q C -0.822 175.131 176.000 -0.077 0.000 1.008 608 Q CA 2.101 57.888 55.803 -0.028 0.000 0.879 608 Q CB -1.174 27.567 28.738 0.005 0.000 0.946 608 Q HN 0.224 nan 8.270 nan 0.000 0.413 609 P HA -0.137 nan 4.420 nan 0.000 0.222 609 P C 0.844 178.040 177.300 -0.174 0.000 1.142 609 P CA 1.173 64.199 63.100 -0.123 0.000 0.788 609 P CB -0.125 31.508 31.700 -0.111 0.000 0.767 610 L N -2.783 118.353 121.223 -0.145 0.000 2.640 610 L HA 0.165 4.505 4.340 -0.000 0.000 0.230 610 L C 0.855 177.698 176.870 -0.045 0.000 1.123 610 L CA -0.167 54.594 54.840 -0.132 0.000 0.900 610 L CB -0.205 41.790 42.059 -0.106 0.000 1.146 610 L HN -0.056 nan 8.230 nan 0.000 0.484 611 L N -1.079 120.102 121.223 -0.070 0.000 2.387 611 L HA 0.293 4.633 4.340 -0.000 0.000 0.266 611 L C 0.451 177.326 176.870 0.009 0.000 1.059 611 L CA -0.614 54.250 54.840 0.041 0.000 0.801 611 L CB 0.812 42.755 42.059 -0.193 0.000 1.223 611 L HN 0.080 nan 8.230 nan 0.000 0.456 612 H N 0.788 119.858 119.070 0.001 0.000 2.505 612 H HA 0.208 4.764 4.556 -0.000 0.000 0.260 612 H C -0.256 175.067 175.328 -0.008 0.000 1.232 612 H CA -0.562 55.477 56.048 -0.015 0.000 0.991 612 H CB 0.399 30.148 29.762 -0.022 0.000 1.729 612 H HN 0.390 nan 8.280 nan 0.000 0.561 613 V N -0.568 119.376 119.914 0.050 0.000 3.432 613 V HA 0.064 4.184 4.120 -0.000 0.000 0.304 613 V C 1.340 177.449 176.094 0.025 0.000 1.107 613 V CA -0.274 62.047 62.300 0.035 0.000 1.153 613 V CB 1.545 33.351 31.823 -0.028 0.000 1.072 613 V HN 0.323 nan 8.190 nan 0.000 0.485 614 R N -0.208 120.314 120.500 0.037 0.000 2.194 614 R HA 0.161 4.501 4.340 -0.000 0.000 0.194 614 R C 1.610 177.928 176.300 0.030 0.000 0.985 614 R CA 1.075 57.191 56.100 0.027 0.000 1.104 614 R CB -0.583 29.734 30.300 0.028 0.000 1.092 614 R HN 0.888 nan 8.270 nan 0.000 0.555 615 D N 0.645 121.076 120.400 0.051 0.000 2.363 615 D HA -0.088 4.552 4.640 -0.000 0.000 0.226 615 D C 0.202 176.532 176.300 0.050 0.000 1.020 615 D CA 0.583 54.614 54.000 0.051 0.000 0.892 615 D CB 0.365 41.208 40.800 0.072 0.000 0.900 615 D HN 0.311 nan 8.370 nan 0.000 0.531 616 E N -0.232 119.996 120.200 0.046 0.000 3.979 616 E HA -0.331 4.019 4.350 -0.000 0.000 0.208 616 E C 0.572 177.218 176.600 0.076 0.000 1.230 616 E CA 1.677 58.100 56.400 0.039 0.000 2.178 616 E CB -0.936 28.775 29.700 0.018 0.000 1.846 616 E HN 0.154 nan 8.360 nan 0.000 0.311 617 K N 0.976 121.414 120.400 0.063 0.000 2.614 617 K HA 0.024 4.344 4.320 -0.000 0.000 0.275 617 K C 0.219 176.883 176.600 0.108 0.000 1.055 617 K CA 1.158 57.490 56.287 0.076 0.000 0.961 617 K CB 0.025 32.543 32.500 0.029 0.000 1.220 617 K HN 0.390 nan 8.250 nan 0.000 0.491 618 E N -1.002 119.252 120.200 0.089 0.000 2.735 618 E HA -0.276 4.074 4.350 -0.000 0.000 0.261 618 E C 0.514 177.233 176.600 0.198 0.000 1.137 618 E CA 1.098 57.572 56.400 0.123 0.000 0.754 618 E CB -1.589 28.144 29.700 0.054 0.000 1.352 618 E HN 0.538 nan 8.360 nan 0.000 0.430 619 F N -0.584 119.402 119.950 0.060 0.000 2.514 619 F HA 0.205 4.732 4.527 -0.000 0.000 0.281 619 F C 1.906 177.720 175.800 0.023 0.000 1.060 619 F CA 0.154 58.179 58.000 0.041 0.000 1.397 619 F CB -0.158 38.845 39.000 0.004 0.000 1.129 619 F HN 0.018 nan 8.300 nan 0.000 0.620 620 L N 0.516 121.611 121.223 -0.213 0.000 1.961 620 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 620 L C 0.674 177.430 176.870 -0.191 0.000 1.072 620 L CA 1.514 56.183 54.840 -0.285 0.000 0.749 620 L CB -0.908 41.120 42.059 -0.053 0.000 0.889 620 L HN 0.232 nan 8.230 nan 0.000 0.432 621 H N -1.125 117.863 119.070 -0.138 0.000 2.948 621 H HA -0.040 4.516 4.556 -0.000 0.000 0.351 621 H C 1.107 176.364 175.328 -0.119 0.000 1.079 621 H CA 1.447 57.428 56.048 -0.112 0.000 1.407 621 H CB 0.768 30.493 29.762 -0.061 0.000 1.373 621 H HN 0.372 nan 8.280 nan 0.000 0.605 622 T N 2.422 116.788 114.554 -0.315 0.000 12.693 622 T HA -0.259 4.091 4.350 -0.000 0.000 0.401 622 T C 1.399 175.968 174.700 -0.219 0.000 1.572 622 T CA 0.976 62.971 62.100 -0.174 0.000 2.569 622 T CB -1.490 67.379 68.868 0.002 0.000 2.634 622 T HN 0.541 nan 8.240 nan 0.000 0.586 623 I N 1.778 122.175 120.570 -0.288 0.000 2.333 623 I HA 0.039 4.209 4.170 -0.000 0.000 0.246 623 I C 2.679 178.648 176.117 -0.248 0.000 1.106 623 I CA 2.720 63.846 61.300 -0.289 0.000 1.411 623 I CB -0.985 36.742 38.000 -0.454 0.000 1.082 623 I HN 0.811 nan 8.210 nan 0.000 0.420 624 T N -2.511 111.876 114.554 -0.278 0.000 3.085 624 T HA -0.120 4.230 4.350 -0.000 0.000 0.263 624 T C 1.583 176.057 174.700 -0.378 0.000 1.127 624 T CA 1.143 63.069 62.100 -0.291 0.000 1.103 624 T CB -0.002 68.712 68.868 -0.256 0.000 0.921 624 T HN 0.237 nan 8.240 nan 0.000 0.510 625 E N 1.031 121.000 120.200 -0.386 0.000 2.086 625 E HA 0.018 4.368 4.350 -0.000 0.000 0.190 625 E C 2.454 178.903 176.600 -0.251 0.000 0.975 625 E CA 0.832 57.008 56.400 -0.373 0.000 0.813 625 E CB -0.239 29.215 29.700 -0.408 0.000 0.768 625 E HN 0.598 nan 8.360 nan 0.000 0.457 626 Q N -0.424 119.260 119.800 -0.193 0.000 2.096 626 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 626 Q C 2.090 178.014 176.000 -0.126 0.000 0.982 626 Q CA 1.462 57.191 55.803 -0.123 0.000 0.850 626 Q CB -0.171 28.513 28.738 -0.089 0.000 0.901 626 Q HN 0.367 nan 8.270 nan 0.000 0.422 627 A N 0.560 123.281 122.820 -0.166 0.000 1.968 627 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 627 A C 2.188 179.627 177.584 -0.242 0.000 1.169 627 A CA 1.376 53.326 52.037 -0.145 0.000 0.638 627 A CB -0.485 18.433 19.000 -0.137 0.000 0.812 627 A HN 0.396 nan 8.150 nan 0.000 0.446 628 A N -0.223 122.368 122.820 -0.382 0.000 1.929 628 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 628 A C 2.178 179.610 177.584 -0.253 0.000 1.176 628 A CA 1.180 52.902 52.037 -0.524 0.000 0.628 628 A CB -0.342 17.956 19.000 -1.171 0.000 0.816 628 A HN 0.381 nan 8.150 nan 0.000 0.444 629 R N 0.314 120.725 120.500 -0.149 0.000 2.088 629 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 629 R C 1.697 177.982 176.300 -0.024 0.000 1.136 629 R CA 1.495 57.575 56.100 -0.034 0.000 0.926 629 R CB -1.010 29.276 30.300 -0.025 0.000 0.837 629 R HN 0.520 nan 8.270 nan 0.000 0.429 630 R N 0.776 121.256 120.500 -0.033 0.000 2.395 630 R HA 0.038 4.378 4.340 -0.000 0.000 0.202 630 R C 1.374 177.681 176.300 0.012 0.000 1.088 630 R CA 0.678 56.777 56.100 -0.002 0.000 1.090 630 R CB -0.061 30.244 30.300 0.010 0.000 0.876 630 R HN 0.263 nan 8.270 nan 0.000 0.477 631 A N 0.689 123.502 122.820 -0.011 0.000 2.074 631 A HA -0.023 4.297 4.320 -0.000 0.000 0.200 631 A C 1.201 178.797 177.584 0.020 0.000 1.335 631 A CA 0.137 52.178 52.037 0.006 0.000 0.922 631 A CB 0.359 19.330 19.000 -0.048 0.000 0.972 631 A HN 0.291 nan 8.150 nan 0.000 0.475 632 D N -0.099 120.317 120.400 0.026 0.000 2.301 632 D HA -0.052 4.588 4.640 -0.000 0.000 0.206 632 D C 1.341 177.660 176.300 0.030 0.000 0.979 632 D CA 0.907 54.931 54.000 0.040 0.000 0.874 632 D CB -0.507 40.336 40.800 0.071 0.000 0.968 632 D HN 0.505 nan 8.370 nan 0.000 0.510 633 E N -0.155 120.061 120.200 0.026 0.000 2.515 633 E HA -0.117 4.233 4.350 -0.000 0.000 0.201 633 E C 0.165 176.778 176.600 0.022 0.000 1.071 633 E CA 0.586 56.998 56.400 0.021 0.000 0.880 633 E CB 0.145 29.855 29.700 0.017 0.000 0.828 633 E HN 0.142 nan 8.360 nan 0.000 0.540 634 D N -2.243 118.173 120.400 0.026 0.000 2.460 634 D HA 0.131 4.771 4.640 -0.000 0.000 0.263 634 D C 0.837 177.157 176.300 0.034 0.000 1.209 634 D CA 0.707 54.725 54.000 0.031 0.000 0.818 634 D CB 0.978 41.801 40.800 0.039 0.000 1.239 634 D HN 0.208 nan 8.370 nan 0.000 0.530 635 G N 1.684 110.503 108.800 0.030 0.000 2.179 635 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 635 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 635 G C 0.555 175.479 174.900 0.039 0.000 0.977 635 G CA -0.168 44.949 45.100 0.028 0.000 0.641 635 G HN 0.272 nan 8.290 nan 0.000 0.533 636 R N 0.808 121.340 120.500 0.054 0.000 2.808 636 R HA 0.257 4.596 4.340 -0.000 0.000 0.248 636 R C 1.069 177.407 176.300 0.064 0.000 1.539 636 R CA 0.147 56.295 56.100 0.080 0.000 1.071 636 R CB -0.502 29.858 30.300 0.100 0.000 1.172 636 R HN 0.518 nan 8.270 nan 0.000 0.579 637 I N 1.335 121.928 120.570 0.039 0.000 2.945 637 I HA -0.002 4.167 4.170 -0.000 0.000 0.292 637 I C 0.893 177.025 176.117 0.024 0.000 1.093 637 I CA -0.231 61.040 61.300 -0.049 0.000 1.336 637 I CB 0.215 38.109 38.000 -0.175 0.000 1.435 637 I HN 0.626 nan 8.210 nan 0.000 0.593 638 Y N -0.517 119.806 120.300 0.038 0.000 2.755 638 Y HA -0.316 4.234 4.550 -0.000 0.000 0.475 638 Y C 0.435 176.347 175.900 0.021 0.000 1.193 638 Y CA 1.104 59.225 58.100 0.035 0.000 2.708 638 Y CB -1.449 37.034 38.460 0.039 0.000 1.089 638 Y HN 0.543 nan 8.280 nan 0.000 0.584 639 D N 1.803 122.321 120.400 0.196 0.000 2.424 639 D HA 0.376 5.016 4.640 -0.000 0.000 0.244 639 D C 0.175 176.458 176.300 -0.029 0.000 1.134 639 D CA 1.326 55.346 54.000 0.033 0.000 0.881 639 D CB 1.231 42.098 40.800 0.112 0.000 1.191 639 D HN 0.431 nan 8.370 nan 0.000 0.445 640 S N 1.523 117.138 115.700 -0.141 0.000 3.392 640 S HA -0.153 4.317 4.470 -0.000 0.000 0.693 640 S C 0.443 175.084 174.600 0.068 0.000 0.620 640 S CA 0.396 58.568 58.200 -0.047 0.000 1.452 640 S CB -1.292 61.915 63.200 0.011 0.000 0.988 640 S HN 0.667 nan 8.310 nan 0.000 0.932 641 I N 1.090 121.739 120.570 0.133 0.000 4.999 641 I HA -0.243 3.927 4.170 -0.000 0.000 0.222 641 I C 1.329 177.516 176.117 0.117 0.000 0.551 641 I CA 0.689 62.073 61.300 0.140 0.000 1.589 641 I CB -1.451 36.601 38.000 0.086 0.000 3.277 641 I HN 0.571 nan 8.210 nan 0.000 1.032 642 L N 1.465 122.726 121.223 0.062 0.000 2.056 642 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 642 L C 2.173 179.007 176.870 -0.060 0.000 1.078 642 L CA 2.103 56.959 54.840 0.027 0.000 0.749 642 L CB -0.277 41.792 42.059 0.017 0.000 0.901 642 L HN 0.418 nan 8.230 nan 0.000 0.433 643 L N -1.545 119.566 121.223 -0.186 0.000 2.109 643 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 643 L C 2.143 178.830 176.870 -0.305 0.000 1.086 643 L CA 1.782 56.407 54.840 -0.359 0.000 0.760 643 L CB -0.856 40.857 42.059 -0.577 0.000 0.910 643 L HN 0.316 nan 8.230 nan 0.000 0.437 644 Y N -1.056 119.169 120.300 -0.124 0.000 2.365 644 Y HA -0.133 4.417 4.550 -0.000 0.000 0.293 644 Y C 2.579 178.405 175.900 -0.122 0.000 1.119 644 Y CA 0.615 58.642 58.100 -0.121 0.000 1.203 644 Y CB 0.010 38.413 38.460 -0.094 0.000 1.026 644 Y HN 0.242 nan 8.280 nan 0.000 0.549 645 Q N -0.241 119.621 119.800 0.104 0.000 2.014 645 Q HA -0.243 4.097 4.340 -0.000 0.000 0.207 645 Q C 2.048 178.068 176.000 0.034 0.000 0.993 645 Q CA 1.668 57.538 55.803 0.113 0.000 0.850 645 Q CB -0.385 28.481 28.738 0.213 0.000 0.916 645 Q HN 0.337 nan 8.270 nan 0.000 0.417 646 L N 0.395 121.622 121.223 0.007 0.000 1.990 646 L HA -0.186 4.153 4.340 -0.000 0.000 0.213 646 L C 2.161 179.008 176.870 -0.038 0.000 1.072 646 L CA 2.048 56.880 54.840 -0.014 0.000 0.755 646 L CB -1.445 40.581 42.059 -0.055 0.000 0.889 646 L HN 0.205 nan 8.230 nan 0.000 0.432 647 A N -1.621 121.152 122.820 -0.079 0.000 2.276 647 A HA -0.058 4.262 4.320 -0.000 0.000 0.205 647 A C 1.070 178.626 177.584 -0.048 0.000 1.234 647 A CA 0.630 52.647 52.037 -0.035 0.000 0.797 647 A CB -0.402 18.530 19.000 -0.113 0.000 0.769 647 A HN 0.580 nan 8.150 nan 0.000 0.491 648 E N -1.491 118.576 120.200 -0.221 0.000 3.130 648 E HA -0.323 4.027 4.350 -0.000 0.000 0.381 648 E C 0.412 176.500 176.600 -0.853 0.000 1.488 648 E CA 1.345 57.350 56.400 -0.659 0.000 1.362 648 E CB -1.358 28.136 29.700 -0.345 0.000 1.656 648 E HN 0.551 nan 8.360 nan 0.000 0.504 649 E N 0.028 119.889 120.200 -0.565 0.000 2.320 649 E HA -0.221 4.129 4.350 -0.000 0.000 0.234 649 E C -1.032 175.390 176.600 -0.296 0.000 1.183 649 E CA 1.076 57.309 56.400 -0.278 0.000 0.713 649 E CB -1.901 27.776 29.700 -0.039 0.000 1.226 649 E HN 0.344 nan 8.360 nan 0.000 0.382 650 Y N -0.079 120.167 120.300 -0.090 0.000 2.568 650 Y HA 0.341 4.891 4.550 -0.000 0.000 0.338 650 Y C 1.319 177.168 175.900 -0.084 0.000 1.245 650 Y CA 0.291 58.288 58.100 -0.170 0.000 1.667 650 Y CB 0.298 38.541 38.460 -0.362 0.000 1.568 650 Y HN 0.265 nan 8.280 nan 0.000 0.471 651 D N -0.088 120.343 120.400 0.050 0.000 1.262 651 D HA -0.128 4.512 4.640 -0.000 0.000 0.732 651 D C 1.446 177.740 176.300 -0.010 0.000 0.888 651 D CA 0.150 54.184 54.000 0.056 0.000 0.984 651 D CB -0.774 40.066 40.800 0.067 0.000 2.704 651 D HN 0.258 nan 8.370 nan 0.000 0.290 652 I N 1.433 121.940 120.570 -0.106 0.000 2.074 652 I HA -0.330 3.840 4.170 -0.000 0.000 0.238 652 I C 2.266 178.273 176.117 -0.184 0.000 1.037 652 I CA 1.668 62.817 61.300 -0.251 0.000 1.301 652 I CB -0.545 37.134 38.000 -0.535 0.000 1.016 652 I HN 0.100 nan 8.210 nan 0.000 0.400 653 V N 0.913 120.765 119.914 -0.104 0.000 2.233 653 V HA -0.350 3.770 4.120 -0.000 0.000 0.252 653 V C 2.317 178.454 176.094 0.072 0.000 1.063 653 V CA 2.520 64.842 62.300 0.038 0.000 1.032 653 V CB -0.526 31.395 31.823 0.163 0.000 0.645 653 V HN 0.316 nan 8.190 nan 0.000 0.446 654 I N 0.205 120.845 120.570 0.116 0.000 2.315 654 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 654 I C 2.752 178.918 176.117 0.082 0.000 1.117 654 I CA 2.062 63.456 61.300 0.158 0.000 1.404 654 I CB -0.534 37.627 38.000 0.267 0.000 1.071 654 I HN 0.578 nan 8.210 nan 0.000 0.419 655 T N -0.647 113.921 114.554 0.023 0.000 2.788 655 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 655 T C 1.968 176.654 174.700 -0.023 0.000 1.044 655 T CA 1.234 63.327 62.100 -0.013 0.000 1.139 655 T CB -0.544 68.292 68.868 -0.053 0.000 0.867 655 T HN 0.290 nan 8.240 nan 0.000 0.454 656 L N 0.564 121.765 121.223 -0.037 0.000 2.093 656 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 656 L C 2.994 179.846 176.870 -0.029 0.000 1.085 656 L CA 0.960 55.775 54.840 -0.041 0.000 0.755 656 L CB -0.609 41.423 42.059 -0.044 0.000 0.904 656 L HN 0.220 nan 8.230 nan 0.000 0.435 657 V N 0.252 120.169 119.914 0.004 0.000 2.287 657 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 657 V C 2.243 178.344 176.094 0.011 0.000 1.053 657 V CA 1.973 64.280 62.300 0.012 0.000 1.027 657 V CB -0.702 31.155 31.823 0.058 0.000 0.646 657 V HN 0.499 nan 8.190 nan 0.000 0.447 658 N N 0.081 118.798 118.700 0.029 0.000 2.104 658 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 658 N C 2.111 177.622 175.510 0.003 0.000 1.024 658 N CA 1.802 54.867 53.050 0.026 0.000 0.853 658 N CB -0.584 37.922 38.487 0.030 0.000 1.008 658 N HN 0.358 nan 8.380 nan 0.000 0.424 659 S N 0.585 116.277 115.700 -0.013 0.000 2.382 659 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 659 S C 1.802 176.384 174.600 -0.029 0.000 1.027 659 S CA 0.553 58.739 58.200 -0.023 0.000 0.991 659 S CB -0.152 63.029 63.200 -0.033 0.000 0.823 659 S HN 0.247 nan 8.310 nan 0.000 0.469 660 L N 0.947 122.143 121.223 -0.045 0.000 2.162 660 L HA 0.220 4.560 4.340 -0.000 0.000 0.205 660 L C 1.896 178.749 176.870 -0.028 0.000 1.086 660 L CA 1.331 56.132 54.840 -0.065 0.000 0.778 660 L CB -0.437 41.535 42.059 -0.144 0.000 0.928 660 L HN 0.268 nan 8.230 nan 0.000 0.446 661 L N -1.330 119.888 121.223 -0.009 0.000 2.027 661 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 661 L C 2.639 179.519 176.870 0.017 0.000 1.074 661 L CA 1.690 56.537 54.840 0.013 0.000 0.745 661 L CB -0.377 41.697 42.059 0.024 0.000 0.898 661 L HN 0.468 nan 8.230 nan 0.000 0.433 662 S N -0.041 115.667 115.700 0.014 0.000 2.359 662 S HA -0.265 4.205 4.470 -0.000 0.000 0.222 662 S C 1.574 176.186 174.600 0.019 0.000 1.038 662 S CA 2.096 60.307 58.200 0.018 0.000 1.051 662 S CB -0.295 62.912 63.200 0.011 0.000 0.944 662 S HN 0.473 nan 8.310 nan 0.000 0.433 663 D N 0.327 120.733 120.400 0.011 0.000 2.123 663 D HA -0.068 4.572 4.640 -0.000 0.000 0.196 663 D C 2.103 178.417 176.300 0.023 0.000 0.992 663 D CA 1.618 55.627 54.000 0.015 0.000 0.833 663 D CB -0.969 39.834 40.800 0.006 0.000 0.954 663 D HN 0.440 nan 8.370 nan 0.000 0.455 664 T N 0.542 115.109 114.554 0.022 0.000 2.821 664 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 664 T C 2.062 176.783 174.700 0.035 0.000 1.046 664 T CA 0.431 62.550 62.100 0.030 0.000 1.139 664 T CB -0.092 68.795 68.868 0.032 0.000 0.871 664 T HN 0.130 nan 8.240 nan 0.000 0.454 665 L N 1.392 122.636 121.223 0.035 0.000 2.395 665 L HA 0.037 4.377 4.340 -0.000 0.000 0.218 665 L C 2.408 179.305 176.870 0.045 0.000 1.130 665 L CA 0.797 55.661 54.840 0.040 0.000 0.826 665 L CB -0.242 41.840 42.059 0.039 0.000 0.941 665 L HN 0.330 nan 8.230 nan 0.000 0.451 666 S N -1.102 114.624 115.700 0.044 0.000 2.556 666 S HA 0.272 4.742 4.470 -0.000 0.000 0.216 666 S C 0.977 175.608 174.600 0.051 0.000 0.970 666 S CA -0.113 58.116 58.200 0.049 0.000 0.912 666 S CB 0.039 63.268 63.200 0.048 0.000 0.790 666 S HN 0.170 nan 8.310 nan 0.000 0.504 667 A N 1.462 124.311 122.820 0.049 0.000 2.406 667 A HA 0.591 4.911 4.320 -0.000 0.000 0.243 667 A C 1.329 178.949 177.584 0.059 0.000 1.082 667 A CA -0.084 51.984 52.037 0.051 0.000 0.786 667 A CB 0.172 19.201 19.000 0.048 0.000 1.029 667 A HN 0.315 nan 8.150 nan 0.000 0.495 668 S N -0.164 115.573 115.700 0.062 0.000 2.414 668 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 668 S C 0.917 175.561 174.600 0.074 0.000 1.022 668 S CA 0.934 59.174 58.200 0.068 0.000 0.958 668 S CB -0.238 63.003 63.200 0.069 0.000 0.797 668 S HN 0.873 nan 8.310 nan 0.000 0.493 669 D N 0.075 120.521 120.400 0.077 0.000 2.403 669 D HA 0.478 5.118 4.640 -0.000 0.000 0.278 669 D C -0.836 175.538 176.300 0.123 0.000 1.230 669 D CA -0.264 53.791 54.000 0.093 0.000 1.062 669 D CB 0.406 41.255 40.800 0.082 0.000 1.119 669 D HN -0.072 nan 8.370 nan 0.000 0.557 670 L N 1.040 122.355 121.223 0.152 0.000 2.528 670 L HA 0.341 4.681 4.340 -0.000 0.000 0.267 670 L C -0.300 176.685 176.870 0.192 0.000 0.961 670 L CA -0.123 54.846 54.840 0.214 0.000 0.866 670 L CB 1.952 44.217 42.059 0.342 0.000 1.248 670 L HN 0.356 nan 8.230 nan 0.000 0.404 671 D N 0.732 121.148 120.400 0.026 0.000 2.662 671 D HA 0.101 4.741 4.640 -0.000 0.000 0.132 671 D C 0.648 176.732 176.300 -0.360 0.000 1.465 671 D CA 0.188 54.097 54.000 -0.151 0.000 1.524 671 D CB 0.718 41.490 40.800 -0.047 0.000 1.871 671 D HN 0.378 nan 8.370 nan 0.000 0.213 672 Q N -0.215 119.475 119.800 -0.183 0.000 2.186 672 Q HA -0.187 4.153 4.340 -0.000 0.000 0.196 672 Q C -2.228 173.678 176.000 -0.158 0.000 2.871 672 Q CA 1.815 57.530 55.803 -0.147 0.000 0.347 672 Q CB -2.317 26.353 28.738 -0.115 0.000 0.612 672 Q HN 0.179 nan 8.270 nan 0.000 0.414 673 P HA -0.072 nan 4.420 nan 0.000 0.180 673 P C -0.097 177.128 177.300 -0.125 0.000 1.169 673 P CA 0.928 63.929 63.100 -0.164 0.000 1.228 673 P CB -0.574 31.001 31.700 -0.207 0.000 1.668 674 L N 0.046 121.218 121.223 -0.084 0.000 5.840 674 L HA -0.431 3.909 4.340 -0.000 0.000 0.053 674 L C 1.779 178.616 176.870 -0.056 0.000 2.327 674 L CA 1.493 56.299 54.840 -0.056 0.000 1.715 674 L CB -2.470 39.564 42.059 -0.042 0.000 2.706 674 L HN 0.238 nan 8.230 nan 0.000 0.957 675 V N -1.506 118.383 119.914 -0.042 0.000 0.582 675 V HA -0.376 3.744 4.120 -0.000 0.000 0.092 675 V C 1.878 177.956 176.094 -0.028 0.000 1.874 675 V CA 3.793 66.073 62.300 -0.032 0.000 3.418 675 V CB -2.141 29.663 31.823 -0.032 0.000 0.707 675 V HN 1.356 nan 8.190 nan 0.000 0.732 676 G N 0.739 109.522 108.800 -0.029 0.000 2.439 676 G HA2 0.007 3.967 3.960 -0.000 0.000 0.212 676 G HA3 0.007 3.967 3.960 -0.000 0.000 0.212 676 G C -0.297 174.585 174.900 -0.031 0.000 1.199 676 G CA 1.383 46.468 45.100 -0.025 0.000 0.807 676 G HN 0.602 nan 8.290 nan 0.000 0.537 677 P HA -0.108 nan 4.420 nan 0.000 0.218 677 P C 0.988 178.263 177.300 -0.040 0.000 1.154 677 P CA 1.870 64.948 63.100 -0.035 0.000 0.872 677 P CB 0.010 31.694 31.700 -0.027 0.000 0.790 678 D N -1.578 118.800 120.400 -0.035 0.000 4.495 678 D HA -0.221 4.419 4.640 -0.000 0.000 0.232 678 D C -0.250 176.030 176.300 -0.034 0.000 0.952 678 D CA 2.510 56.490 54.000 -0.034 0.000 2.071 678 D CB -1.797 38.984 40.800 -0.033 0.000 1.145 678 D HN 0.404 nan 8.370 nan 0.000 0.411 679 D N 0.819 121.194 120.400 -0.041 0.000 2.264 679 D HA 0.244 4.884 4.640 -0.000 0.000 0.249 679 D C 0.221 176.501 176.300 -0.034 0.000 1.070 679 D CA -0.309 53.668 54.000 -0.039 0.000 0.912 679 D CB 0.251 41.024 40.800 -0.045 0.000 1.193 679 D HN 0.417 nan 8.370 nan 0.000 0.427 680 N N 2.001 120.683 118.700 -0.030 0.000 2.718 680 N HA -0.188 4.552 4.740 -0.000 0.000 0.315 680 N C 0.218 175.712 175.510 -0.026 0.000 1.191 680 N CA 0.819 53.851 53.050 -0.030 0.000 1.172 680 N CB -0.345 38.122 38.487 -0.033 0.000 1.441 680 N HN 0.768 nan 8.380 nan 0.000 0.519 681 S N -0.696 114.995 115.700 -0.014 0.000 1.317 681 S HA -0.242 4.228 4.470 -0.000 0.000 0.251 681 S C 0.891 175.514 174.600 0.039 0.000 0.657 681 S CA 0.633 58.841 58.200 0.014 0.000 1.072 681 S CB -1.631 61.567 63.200 -0.003 0.000 1.133 681 S HN 0.364 nan 8.310 nan 0.000 0.492 682 E N 2.069 122.262 120.200 -0.012 0.000 2.209 682 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 682 E C 2.030 178.471 176.600 -0.266 0.000 0.993 682 E CA 2.088 58.458 56.400 -0.048 0.000 0.819 682 E CB -0.329 29.339 29.700 -0.054 0.000 0.745 682 E HN 1.028 nan 8.360 nan 0.000 0.477 683 T N -3.129 111.247 114.554 -0.296 0.000 3.009 683 T HA 0.091 4.441 4.350 -0.000 0.000 0.267 683 T C 0.203 174.730 174.700 -0.288 0.000 0.942 683 T CA -0.458 61.293 62.100 -0.582 0.000 0.883 683 T CB -0.029 68.635 68.868 -0.340 0.000 1.192 683 T HN 0.108 nan 8.240 nan 0.000 0.524 684 N N 1.138 119.843 118.700 0.008 0.000 2.225 684 N HA 0.386 5.126 4.740 -0.000 0.000 0.298 684 N C -2.853 172.773 175.510 0.194 0.000 1.076 684 N CA -1.867 51.268 53.050 0.141 0.000 0.792 684 N CB 2.672 41.186 38.487 0.046 0.000 1.498 684 N HN -0.246 nan 8.380 nan 0.000 0.474 685 P HA -0.145 nan 4.420 nan 0.000 0.214 685 P C 1.600 178.939 177.300 0.065 0.000 1.163 685 P CA 1.094 64.257 63.100 0.104 0.000 0.889 685 P CB 0.339 32.075 31.700 0.060 0.000 0.790 686 V N -0.468 119.473 119.914 0.046 0.000 2.252 686 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 686 V C 2.397 178.501 176.094 0.017 0.000 1.056 686 V CA 1.882 64.197 62.300 0.025 0.000 1.022 686 V CB -1.388 30.442 31.823 0.012 0.000 0.641 686 V HN 0.077 nan 8.190 nan 0.000 0.445 687 L N -1.032 120.202 121.223 0.017 0.000 2.478 687 L HA -0.044 4.296 4.340 -0.000 0.000 0.223 687 L C 2.238 179.110 176.870 0.002 0.000 1.140 687 L CA 0.374 55.214 54.840 0.001 0.000 0.842 687 L CB -0.410 41.645 42.059 -0.006 0.000 0.953 687 L HN 0.319 nan 8.230 nan 0.000 0.452 688 L N 0.510 121.755 121.223 0.037 0.000 2.023 688 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 688 L C 2.713 179.578 176.870 -0.009 0.000 1.073 688 L CA 1.957 56.822 54.840 0.041 0.000 0.745 688 L CB -0.604 41.525 42.059 0.117 0.000 0.900 688 L HN 0.128 nan 8.230 nan 0.000 0.435 689 A N -0.433 122.388 122.820 0.002 0.000 1.908 689 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 689 A C 2.368 179.912 177.584 -0.065 0.000 1.181 689 A CA 1.624 53.653 52.037 -0.015 0.000 0.627 689 A CB -0.583 18.430 19.000 0.020 0.000 0.818 689 A HN 0.452 nan 8.150 nan 0.000 0.445 690 R N -0.750 119.719 120.500 -0.052 0.000 2.083 690 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 690 R C 2.468 178.690 176.300 -0.131 0.000 1.137 690 R CA 1.771 57.827 56.100 -0.073 0.000 0.951 690 R CB -0.527 29.746 30.300 -0.044 0.000 0.851 690 R HN 0.697 nan 8.270 nan 0.000 0.434 691 R N 0.151 120.573 120.500 -0.130 0.000 2.057 691 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 691 R C 2.247 178.361 176.300 -0.310 0.000 1.136 691 R CA 1.237 57.230 56.100 -0.179 0.000 0.952 691 R CB -0.078 30.144 30.300 -0.130 0.000 0.848 691 R HN -0.018 nan 8.270 nan 0.000 0.430 692 M N 0.902 120.315 119.600 -0.312 0.000 2.073 692 M HA -0.136 4.344 4.480 -0.000 0.000 0.258 692 M C 2.468 178.374 176.300 -0.656 0.000 1.070 692 M CA 1.992 57.015 55.300 -0.462 0.000 1.103 692 M CB -1.541 30.957 32.600 -0.170 0.000 1.321 692 M HN 0.350 nan 8.290 nan 0.000 0.405 693 A N -0.293 122.117 122.820 -0.682 0.000 1.892 693 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 693 A C 2.548 179.723 177.584 -0.681 0.000 1.188 693 A CA 2.881 54.234 52.037 -1.139 0.000 0.631 693 A CB -1.165 17.539 19.000 -0.493 0.000 0.822 693 A HN 0.568 nan 8.150 nan 0.000 0.447 694 S N 0.087 115.561 115.700 -0.378 0.000 2.368 694 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 694 S C 1.869 176.335 174.600 -0.223 0.000 1.029 694 S CA 1.376 59.443 58.200 -0.221 0.000 0.988 694 S CB -0.640 62.466 63.200 -0.156 0.000 0.838 694 S HN 0.846 nan 8.310 nan 0.000 0.462 695 I N -2.741 117.624 120.570 -0.342 0.000 3.684 695 I HA 0.239 4.409 4.170 -0.000 0.000 0.304 695 I C 1.467 177.440 176.117 -0.239 0.000 1.278 695 I CA 0.497 61.604 61.300 -0.322 0.000 1.272 695 I CB -0.304 37.456 38.000 -0.400 0.000 1.029 695 I HN 0.301 nan 8.210 nan 0.000 0.458 696 Y N -0.879 119.300 120.300 -0.201 0.000 2.673 696 Y HA 0.218 4.768 4.550 -0.000 0.000 0.278 696 Y C 1.836 177.774 175.900 0.064 0.000 1.127 696 Y CA -0.333 57.690 58.100 -0.128 0.000 1.261 696 Y CB -0.002 38.385 38.460 -0.122 0.000 1.412 696 Y HN -0.022 nan 8.280 nan 0.000 0.496 697 F N 1.010 121.031 119.950 0.118 0.000 2.451 697 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 697 F C 1.483 177.299 175.800 0.026 0.000 1.101 697 F CA 0.431 58.467 58.000 0.059 0.000 1.436 697 F CB -0.618 38.409 39.000 0.046 0.000 1.074 697 F HN 0.232 nan 8.300 nan 0.000 0.553 698 D N -0.925 119.580 120.400 0.175 0.000 2.277 698 D HA -0.078 4.562 4.640 -0.000 0.000 0.209 698 D C 0.742 177.080 176.300 0.064 0.000 0.970 698 D CA 0.200 54.256 54.000 0.094 0.000 0.874 698 D CB -0.295 40.536 40.800 0.052 0.000 0.982 698 D HN 0.095 nan 8.370 nan 0.000 0.504 699 N N 1.886 120.624 118.700 0.064 0.000 2.406 699 N HA 0.016 4.756 4.740 -0.000 0.000 0.274 699 N C 0.999 176.521 175.510 0.020 0.000 1.249 699 N CA 0.082 53.151 53.050 0.032 0.000 0.951 699 N CB 0.937 39.437 38.487 0.021 0.000 1.241 699 N HN -0.037 nan 8.380 nan 0.000 0.485 700 A N 4.215 127.043 122.820 0.013 0.000 1.882 700 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 700 A C 1.860 179.437 177.584 -0.011 0.000 1.253 700 A CA 2.232 54.272 52.037 0.004 0.000 0.664 700 A CB -1.404 17.596 19.000 0.000 0.000 0.838 700 A HN 0.676 nan 8.150 nan 0.000 0.460 701 G N -1.653 107.134 108.800 -0.022 0.000 2.848 701 G HA2 0.200 4.160 3.960 -0.000 0.000 0.208 701 G HA3 0.200 4.160 3.960 -0.000 0.000 0.208 701 G C 1.254 176.116 174.900 -0.063 0.000 1.152 701 G CA 0.774 45.856 45.100 -0.030 0.000 0.789 701 G HN 0.520 nan 8.290 nan 0.000 0.531 702 I N -0.490 120.012 120.570 -0.114 0.000 2.729 702 I HA -0.027 4.143 4.170 -0.000 0.000 0.256 702 I C 2.798 178.846 176.117 -0.116 0.000 1.115 702 I CA 0.518 61.666 61.300 -0.254 0.000 1.446 702 I CB -0.257 37.419 38.000 -0.540 0.000 1.176 702 I HN 0.204 nan 8.210 nan 0.000 0.446 703 S N 1.489 117.178 115.700 -0.017 0.000 2.378 703 S HA -0.261 4.209 4.470 -0.000 0.000 0.229 703 S C 2.190 176.779 174.600 -0.018 0.000 1.052 703 S CA 1.752 59.972 58.200 0.033 0.000 1.084 703 S CB -0.252 62.977 63.200 0.048 0.000 0.950 703 S HN 0.281 nan 8.310 nan 0.000 0.440 704 R N 0.423 120.906 120.500 -0.028 0.000 2.170 704 R HA -0.074 4.266 4.340 -0.000 0.000 0.242 704 R C 2.198 178.470 176.300 -0.047 0.000 1.145 704 R CA 1.347 57.422 56.100 -0.041 0.000 0.984 704 R CB -0.420 29.859 30.300 -0.034 0.000 0.869 704 R HN 0.644 nan 8.270 nan 0.000 0.455 705 Q N 0.077 119.865 119.800 -0.020 0.000 2.444 705 Q HA 0.142 4.482 4.340 -0.000 0.000 0.206 705 Q C -0.026 175.977 176.000 0.005 0.000 0.948 705 Q CA 0.300 56.106 55.803 0.004 0.000 0.946 705 Q CB 0.327 29.118 28.738 0.088 0.000 1.027 705 Q HN 0.270 nan 8.270 nan 0.000 0.513 706 I N 0.825 121.388 120.570 -0.012 0.000 2.389 706 I HA 0.148 4.318 4.170 -0.000 0.000 0.288 706 I C -0.011 176.091 176.117 -0.025 0.000 0.999 706 I CA -0.808 60.504 61.300 0.019 0.000 1.129 706 I CB 1.265 39.303 38.000 0.063 0.000 1.288 706 I HN 0.107 nan 8.210 nan 0.000 0.444 707 H N 4.755 123.803 119.070 -0.036 0.000 3.115 707 H HA -0.066 4.490 4.556 -0.000 0.000 0.324 707 H C 1.124 176.401 175.328 -0.084 0.000 1.007 707 H CA 0.658 56.676 56.048 -0.050 0.000 1.385 707 H CB 1.727 31.464 29.762 -0.042 0.000 1.351 707 H HN 0.521 nan 8.280 nan 0.000 0.592 708 V N 4.716 124.641 119.914 0.019 0.000 2.332 708 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 708 V C 2.250 178.323 176.094 -0.035 0.000 1.055 708 V CA 2.199 64.473 62.300 -0.043 0.000 1.038 708 V CB -0.212 31.585 31.823 -0.043 0.000 0.651 708 V HN 0.634 nan 8.190 nan 0.000 0.450 709 K N 0.445 120.856 120.400 0.019 0.000 2.113 709 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 709 K C 2.110 178.693 176.600 -0.027 0.000 1.047 709 K CA 2.340 58.620 56.287 -0.010 0.000 0.928 709 K CB -0.458 32.031 32.500 -0.017 0.000 0.716 709 K HN 0.723 nan 8.250 nan 0.000 0.446 710 N N -0.117 118.579 118.700 -0.007 0.000 2.216 710 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 710 N C 1.436 176.932 175.510 -0.023 0.000 1.017 710 N CA 0.870 53.916 53.050 -0.005 0.000 0.861 710 N CB 0.116 38.626 38.487 0.039 0.000 0.986 710 N HN 0.222 nan 8.380 nan 0.000 0.428 711 K N 0.346 120.668 120.400 -0.131 0.000 2.262 711 K HA 0.016 4.336 4.320 -0.000 0.000 0.200 711 K C 1.262 177.739 176.600 -0.205 0.000 1.049 711 K CA 0.671 56.769 56.287 -0.313 0.000 0.979 711 K CB 0.007 31.877 32.500 -1.049 0.000 0.773 711 K HN 0.155 nan 8.250 nan 0.000 0.474 712 E N 1.333 121.450 120.200 -0.138 0.000 2.085 712 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 712 E C 1.949 178.537 176.600 -0.019 0.000 0.994 712 E CA 1.311 57.669 56.400 -0.070 0.000 0.801 712 E CB -0.215 29.453 29.700 -0.054 0.000 0.743 712 E HN 0.323 nan 8.360 nan 0.000 0.453 713 I N 0.470 121.034 120.570 -0.011 0.000 2.286 713 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 713 I C 2.656 178.800 176.117 0.045 0.000 1.115 713 I CA 0.547 61.854 61.300 0.011 0.000 1.392 713 I CB -0.218 37.784 38.000 0.003 0.000 1.065 713 I HN 0.304 nan 8.210 nan 0.000 0.418 714 C N 0.782 120.130 119.300 0.080 0.000 2.425 714 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 714 C C 2.900 177.980 174.990 0.150 0.000 1.280 714 C CA 0.788 59.897 59.018 0.153 0.000 1.744 714 C CB -0.587 27.340 27.740 0.312 0.000 1.989 714 C HN 0.403 nan 8.230 nan 0.000 0.491 715 M N -0.335 119.341 119.600 0.127 0.000 2.156 715 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 715 M C 2.071 178.409 176.300 0.063 0.000 1.067 715 M CA 1.152 56.515 55.300 0.105 0.000 1.131 715 M CB -1.648 31.000 32.600 0.080 0.000 1.368 715 M HN 0.318 nan 8.290 nan 0.000 0.416 716 L N 0.759 122.009 121.223 0.045 0.000 1.989 716 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 716 L C 2.242 179.136 176.870 0.041 0.000 1.071 716 L CA 1.687 56.548 54.840 0.034 0.000 0.749 716 L CB -1.093 40.981 42.059 0.025 0.000 0.890 716 L HN 0.161 nan 8.230 nan 0.000 0.431 717 L N -1.430 119.821 121.223 0.046 0.000 2.191 717 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 717 L C 2.228 179.126 176.870 0.047 0.000 1.103 717 L CA 1.289 56.156 54.840 0.046 0.000 0.769 717 L CB -0.876 41.211 42.059 0.047 0.000 0.908 717 L HN 0.241 nan 8.230 nan 0.000 0.438 718 L N -1.234 120.021 121.223 0.054 0.000 2.162 718 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 718 L C 2.088 178.983 176.870 0.041 0.000 1.086 718 L CA 1.342 56.211 54.840 0.048 0.000 0.778 718 L CB -0.917 41.177 42.059 0.059 0.000 0.928 718 L HN 0.335 nan 8.230 nan 0.000 0.446 719 N N -0.520 118.204 118.700 0.040 0.000 2.120 719 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 719 N C 1.882 177.413 175.510 0.035 0.000 1.024 719 N CA 1.278 54.348 53.050 0.033 0.000 0.852 719 N CB -0.096 38.406 38.487 0.026 0.000 1.003 719 N HN 0.263 nan 8.380 nan 0.000 0.424 720 I N 0.659 121.252 120.570 0.039 0.000 2.286 720 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 720 I C 2.174 178.318 176.117 0.046 0.000 1.115 720 I CA 0.977 62.303 61.300 0.042 0.000 1.392 720 I CB -0.286 37.739 38.000 0.043 0.000 1.065 720 I HN 0.252 nan 8.210 nan 0.000 0.418 721 S N -0.655 115.070 115.700 0.042 0.000 2.428 721 S HA -0.088 4.382 4.470 -0.000 0.000 0.230 721 S C 2.049 176.676 174.600 0.045 0.000 1.014 721 S CA 0.995 59.220 58.200 0.042 0.000 0.957 721 S CB -0.306 62.913 63.200 0.032 0.000 0.784 721 S HN 0.286 nan 8.310 nan 0.000 0.499 722 S N 2.019 117.744 115.700 0.041 0.000 2.368 722 S HA 0.016 4.486 4.470 -0.000 0.000 0.225 722 S C 1.698 176.336 174.600 0.062 0.000 1.030 722 S CA 1.264 59.490 58.200 0.042 0.000 0.999 722 S CB -0.495 62.725 63.200 0.033 0.000 0.844 722 S HN 0.411 nan 8.310 nan 0.000 0.459 723 I N 1.473 122.084 120.570 0.068 0.000 2.208 723 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 723 I C 2.569 178.775 176.117 0.147 0.000 1.097 723 I CA 1.282 62.638 61.300 0.093 0.000 1.363 723 I CB -0.227 37.816 38.000 0.071 0.000 1.051 723 I HN 0.115 nan 8.210 nan 0.000 0.413 724 R N 0.049 120.628 120.500 0.131 0.000 2.070 724 R HA -0.198 4.142 4.340 -0.000 0.000 0.233 724 R C 2.188 178.625 176.300 0.229 0.000 1.137 724 R CA 1.614 57.829 56.100 0.192 0.000 0.945 724 R CB -0.769 29.605 30.300 0.124 0.000 0.845 724 R HN 0.497 nan 8.270 nan 0.000 0.430 725 E N 0.904 121.182 120.200 0.130 0.000 2.035 725 E HA -0.225 4.124 4.350 -0.000 0.000 0.204 725 E C 2.160 178.845 176.600 0.141 0.000 1.025 725 E CA 1.728 58.191 56.400 0.105 0.000 0.835 725 E CB -0.268 29.462 29.700 0.049 0.000 0.764 725 E HN 0.206 nan 8.360 nan 0.000 0.457 726 L N -0.265 121.022 121.223 0.107 0.000 2.051 726 L HA -0.244 4.096 4.340 -0.000 0.000 0.214 726 L C 2.619 179.523 176.870 0.057 0.000 1.076 726 L CA 1.840 56.718 54.840 0.064 0.000 0.758 726 L CB -0.562 41.538 42.059 0.067 0.000 0.890 726 L HN 0.382 nan 8.230 nan 0.000 0.433 727 Y N -0.736 119.594 120.300 0.048 0.000 2.293 727 Y HA -0.299 4.251 4.550 -0.000 0.000 0.291 727 Y C 2.329 178.262 175.900 0.056 0.000 1.137 727 Y CA 1.282 59.429 58.100 0.078 0.000 1.202 727 Y CB -0.148 38.419 38.460 0.179 0.000 0.990 727 Y HN 0.067 nan 8.280 nan 0.000 0.537 728 F N 1.234 121.146 119.950 -0.064 0.000 2.293 728 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 728 F C 1.345 177.009 175.800 -0.227 0.000 1.086 728 F CA 1.374 59.293 58.000 -0.135 0.000 1.375 728 F CB -0.241 38.750 39.000 -0.015 0.000 1.045 728 F HN 0.045 nan 8.300 nan 0.000 0.516 729 N N 1.186 119.800 118.700 -0.143 0.000 2.346 729 N HA 0.010 4.749 4.740 -0.000 0.000 0.225 729 N C -0.064 175.154 175.510 -0.486 0.000 1.144 729 N CA 0.189 53.100 53.050 -0.232 0.000 0.837 729 N CB -0.075 38.355 38.487 -0.095 0.000 1.069 729 N HN 0.281 nan 8.380 nan 0.000 0.487 730 K N 0.090 119.983 120.400 -0.846 0.000 2.975 730 K HA -0.229 4.091 4.320 -0.000 0.000 0.257 730 K C 0.053 175.720 176.600 -1.555 0.000 1.005 730 K CA 0.542 55.918 56.287 -1.519 0.000 0.738 730 K CB -0.953 31.121 32.500 -0.710 0.000 1.236 730 K HN 0.184 nan 8.250 nan 0.000 0.483 731 Q N 0.260 119.454 119.800 -1.010 0.000 2.771 731 Q HA 0.158 4.498 4.340 -0.000 0.000 0.239 731 Q C 0.092 175.921 176.000 -0.285 0.000 1.231 731 Q CA -0.290 55.198 55.803 -0.524 0.000 1.056 731 Q CB -0.091 28.498 28.738 -0.249 0.000 1.284 731 Q HN 0.322 nan 8.270 nan 0.000 0.558 732 W N 1.139 122.468 121.300 0.048 0.000 2.380 732 W HA -0.134 4.526 4.660 -0.000 0.000 0.317 732 W C 1.870 178.442 176.519 0.089 0.000 1.196 732 W CA 0.365 57.760 57.345 0.085 0.000 1.307 732 W CB -0.118 29.385 29.460 0.071 0.000 1.157 732 W HN 0.426 nan 8.180 nan 0.000 0.483 733 Q N 0.892 120.860 119.800 0.280 0.000 2.029 733 Q HA -0.265 4.075 4.340 -0.000 0.000 0.209 733 Q C 2.063 178.143 176.000 0.134 0.000 0.999 733 Q CA 1.883 57.793 55.803 0.178 0.000 0.857 733 Q CB -0.752 28.058 28.738 0.120 0.000 0.926 733 Q HN 0.412 nan 8.270 nan 0.000 0.415 734 E N -0.345 119.909 120.200 0.091 0.000 2.085 734 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 734 E C 1.992 178.641 176.600 0.081 0.000 0.994 734 E CA 1.391 57.827 56.400 0.060 0.000 0.801 734 E CB 0.012 29.727 29.700 0.025 0.000 0.743 734 E HN 0.378 nan 8.360 nan 0.000 0.453 735 T N 1.760 116.391 114.554 0.128 0.000 2.720 735 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 735 T C 2.019 176.815 174.700 0.159 0.000 1.037 735 T CA 0.770 62.970 62.100 0.167 0.000 1.144 735 T CB -0.168 68.870 68.868 0.282 0.000 0.864 735 T HN 0.136 nan 8.240 nan 0.000 0.444 736 L N 0.772 122.108 121.223 0.188 0.000 2.056 736 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 736 L C 2.840 179.746 176.870 0.060 0.000 1.078 736 L CA 1.071 56.031 54.840 0.200 0.000 0.749 736 L CB -0.550 41.657 42.059 0.248 0.000 0.901 736 L HN 0.293 nan 8.230 nan 0.000 0.433 737 S N -0.536 115.179 115.700 0.025 0.000 2.351 737 S HA -0.229 4.241 4.470 -0.000 0.000 0.220 737 S C 1.835 176.371 174.600 -0.106 0.000 1.035 737 S CA 1.134 59.300 58.200 -0.056 0.000 1.031 737 S CB -0.367 62.823 63.200 -0.018 0.000 0.928 737 S HN 0.426 nan 8.310 nan 0.000 0.433 738 Q N 0.562 120.337 119.800 -0.042 0.000 2.077 738 Q HA -0.074 4.266 4.340 -0.000 0.000 0.206 738 Q C 2.271 178.230 176.000 -0.068 0.000 0.989 738 Q CA 1.047 56.826 55.803 -0.039 0.000 0.853 738 Q CB -0.496 28.246 28.738 0.008 0.000 0.907 738 Q HN 0.472 nan 8.270 nan 0.000 0.418 739 M N 0.493 120.065 119.600 -0.047 0.000 2.080 739 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 739 M C 2.118 178.264 176.300 -0.256 0.000 1.068 739 M CA 1.528 56.809 55.300 -0.032 0.000 1.109 739 M CB -0.765 31.924 32.600 0.149 0.000 1.342 739 M HN 0.292 nan 8.290 nan 0.000 0.405 740 E N 0.378 120.180 120.200 -0.664 0.000 2.058 740 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 740 E C 1.879 178.216 176.600 -0.438 0.000 0.997 740 E CA 1.241 56.995 56.400 -1.077 0.000 0.801 740 E CB -0.067 28.942 29.700 -1.151 0.000 0.746 740 E HN 0.259 nan 8.360 nan 0.000 0.450 741 L N 0.463 121.527 121.223 -0.265 0.000 2.261 741 L HA -0.169 4.171 4.340 -0.000 0.000 0.216 741 L C 2.094 178.908 176.870 -0.094 0.000 1.114 741 L CA 0.927 55.682 54.840 -0.142 0.000 0.777 741 L CB -0.476 41.527 42.059 -0.093 0.000 0.910 741 L HN 0.280 nan 8.230 nan 0.000 0.440 742 L N -0.647 120.525 121.223 -0.086 0.000 2.265 742 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 742 L C 1.019 177.873 176.870 -0.026 0.000 1.117 742 L CA 1.134 55.954 54.840 -0.034 0.000 0.782 742 L CB -0.814 41.243 42.059 -0.002 0.000 0.914 742 L HN 0.354 nan 8.230 nan 0.000 0.441 743 D N -2.240 118.129 120.400 -0.051 0.000 2.772 743 D HA -0.224 4.416 4.640 -0.000 0.000 0.233 743 D C 0.953 177.256 176.300 0.004 0.000 1.143 743 D CA 0.421 54.405 54.000 -0.026 0.000 0.700 743 D CB -0.742 40.043 40.800 -0.025 0.000 1.076 743 D HN 0.078 nan 8.370 nan 0.000 0.430 744 L N -0.889 120.346 121.223 0.020 0.000 2.526 744 L HA 0.375 4.715 4.340 -0.000 0.000 0.210 744 L C 0.739 177.583 176.870 -0.045 0.000 1.048 744 L CA 0.634 55.489 54.840 0.025 0.000 0.852 744 L CB -0.112 41.981 42.059 0.057 0.000 1.128 744 L HN 0.103 nan 8.230 nan 0.000 0.482 745 L N 0.930 122.152 121.223 -0.001 0.000 2.334 745 L HA 0.442 4.782 4.340 -0.000 0.000 0.275 745 L C -2.153 174.697 176.870 -0.034 0.000 1.036 745 L CA -1.839 52.917 54.840 -0.140 0.000 0.807 745 L CB 0.677 42.753 42.059 0.029 0.000 1.231 745 L HN -0.059 nan 8.230 nan 0.000 0.438 746 P HA 0.107 nan 4.420 nan 0.000 0.276 746 P C -0.144 177.095 177.300 -0.102 0.000 1.264 746 P CA 0.276 63.309 63.100 -0.112 0.000 0.769 746 P CB 0.225 31.830 31.700 -0.158 0.000 0.840 747 F N 1.038 120.948 119.950 -0.066 0.000 2.720 747 F HA -0.027 4.500 4.527 -0.000 0.000 0.301 747 F C 2.126 177.912 175.800 -0.022 0.000 1.103 747 F CA 0.373 58.351 58.000 -0.037 0.000 1.291 747 F CB 0.445 39.428 39.000 -0.028 0.000 1.086 747 F HN 0.259 nan 8.300 nan 0.000 0.592 748 S N -0.768 114.999 115.700 0.112 0.000 2.965 748 S HA 0.156 4.626 4.470 -0.000 0.000 0.165 748 S C 0.109 174.727 174.600 0.030 0.000 0.735 748 S CA -0.041 58.200 58.200 0.069 0.000 0.985 748 S CB -0.535 62.700 63.200 0.059 0.000 0.675 748 S HN 0.135 nan 8.310 nan 0.000 0.592 749 D N -0.189 120.224 120.400 0.022 0.000 2.442 749 D HA 0.326 4.966 4.640 -0.000 0.000 0.254 749 D C 0.645 176.948 176.300 0.006 0.000 1.069 749 D CA -0.796 53.210 54.000 0.011 0.000 1.017 749 D CB 0.727 41.535 40.800 0.013 0.000 1.172 749 D HN 0.475 nan 8.370 nan 0.000 0.561 750 E N -1.048 119.155 120.200 0.005 0.000 2.209 750 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 750 E C 1.747 178.356 176.600 0.015 0.000 0.993 750 E CA 0.439 56.844 56.400 0.007 0.000 0.819 750 E CB 0.002 29.705 29.700 0.005 0.000 0.745 750 E HN 0.330 nan 8.360 nan 0.000 0.477 751 L N 0.441 121.673 121.223 0.015 0.000 2.265 751 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 751 L C 1.875 178.760 176.870 0.025 0.000 1.117 751 L CA 1.595 56.447 54.840 0.020 0.000 0.782 751 L CB -0.257 41.812 42.059 0.017 0.000 0.914 751 L HN -0.008 nan 8.230 nan 0.000 0.441 752 S N -1.081 114.631 115.700 0.020 0.000 2.478 752 S HA 0.149 4.619 4.470 -0.000 0.000 0.222 752 S C 2.046 176.655 174.600 0.015 0.000 1.008 752 S CA 0.529 58.740 58.200 0.017 0.000 0.928 752 S CB -0.036 63.172 63.200 0.012 0.000 0.781 752 S HN 0.560 nan 8.310 nan 0.000 0.518 753 A N 2.376 125.211 122.820 0.026 0.000 1.873 753 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 753 A C 2.130 179.788 177.584 0.124 0.000 1.186 753 A CA 1.394 53.480 52.037 0.081 0.000 0.616 753 A CB -0.477 18.568 19.000 0.074 0.000 0.823 753 A HN 0.307 nan 8.150 nan 0.000 0.442 754 R N -0.241 120.303 120.500 0.073 0.000 2.097 754 R HA -0.186 4.154 4.340 -0.000 0.000 0.236 754 R C 2.301 178.651 176.300 0.083 0.000 1.135 754 R CA 2.189 58.329 56.100 0.066 0.000 0.934 754 R CB -0.316 30.009 30.300 0.042 0.000 0.846 754 R HN 0.482 nan 8.270 nan 0.000 0.431 755 K N 0.659 121.101 120.400 0.070 0.000 2.032 755 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 755 K C 1.679 178.342 176.600 0.103 0.000 1.048 755 K CA 1.887 58.216 56.287 0.070 0.000 0.927 755 K CB -0.027 32.501 32.500 0.047 0.000 0.712 755 K HN 0.028 nan 8.250 nan 0.000 0.441 756 K N -0.424 120.046 120.400 0.116 0.000 2.155 756 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 756 K C 1.973 178.806 176.600 0.388 0.000 1.052 756 K CA 0.865 57.254 56.287 0.170 0.000 0.948 756 K CB -0.126 32.352 32.500 -0.035 0.000 0.728 756 K HN 0.256 nan 8.250 nan 0.000 0.448 757 A N 2.109 125.152 122.820 0.372 0.000 1.841 757 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 757 A C 1.420 179.117 177.584 0.188 0.000 1.199 757 A CA 1.469 53.633 52.037 0.212 0.000 0.621 757 A CB -0.610 18.437 19.000 0.078 0.000 0.835 757 A HN 0.462 nan 8.150 nan 0.000 0.445 758 Q N -0.993 118.891 119.800 0.139 0.000 3.254 758 Q HA 0.337 4.677 4.340 -0.000 0.000 0.315 758 Q C -0.615 175.457 176.000 0.120 0.000 1.405 758 Q CA 0.889 56.761 55.803 0.114 0.000 0.966 758 Q CB 0.024 28.807 28.738 0.075 0.000 1.706 758 Q HN 0.606 nan 8.270 nan 0.000 0.525 759 D N -0.637 119.862 120.400 0.164 0.000 1.675 759 D HA 0.043 4.683 4.640 -0.000 0.000 0.756 759 D C -0.675 175.735 176.300 0.183 0.000 0.603 759 D CA -0.386 53.700 54.000 0.144 0.000 1.278 759 D CB -0.158 40.728 40.800 0.144 0.000 1.227 759 D HN 0.363 nan 8.370 nan 0.000 0.412 760 F N 1.124 121.131 119.950 0.096 0.000 2.435 760 F HA 0.420 4.947 4.527 -0.000 0.000 0.316 760 F C 1.711 177.537 175.800 0.044 0.000 1.220 760 F CA 1.271 59.321 58.000 0.084 0.000 1.241 760 F CB 1.093 40.145 39.000 0.087 0.000 1.234 760 F HN 0.009 nan 8.300 nan 0.000 0.569 761 S N 0.933 116.311 115.700 -0.537 0.000 1.929 761 S HA -0.374 4.096 4.470 -0.000 0.000 0.234 761 S C 1.077 175.585 174.600 -0.153 0.000 1.022 761 S CA 1.690 59.746 58.200 -0.239 0.000 1.520 761 S CB -1.748 61.507 63.200 0.092 0.000 1.942 761 S HN 0.896 nan 8.310 nan 0.000 0.555 762 N N 0.352 118.996 118.700 -0.093 0.000 2.370 762 N HA 0.289 5.029 4.740 -0.000 0.000 0.198 762 N C -0.067 175.391 175.510 -0.087 0.000 1.156 762 N CA 0.415 53.429 53.050 -0.060 0.000 0.839 762 N CB 0.211 38.693 38.487 -0.009 0.000 0.989 762 N HN 0.452 nan 8.380 nan 0.000 0.468 763 L N 0.495 121.620 121.223 -0.163 0.000 2.637 763 L HA 0.340 4.680 4.340 -0.000 0.000 0.241 763 L C -1.047 175.726 176.870 -0.162 0.000 1.398 763 L CA -0.413 54.340 54.840 -0.145 0.000 0.895 763 L CB -0.019 41.947 42.059 -0.155 0.000 1.183 763 L HN 0.069 nan 8.230 nan 0.000 0.497 764 D N 0.662 120.990 120.400 -0.120 0.000 6.709 764 D HA -0.297 4.343 4.640 -0.000 0.000 0.225 764 D C 1.040 177.276 176.300 -0.107 0.000 1.662 764 D CA 1.448 55.389 54.000 -0.098 0.000 1.553 764 D CB 0.541 41.301 40.800 -0.067 0.000 0.972 764 D HN 0.752 nan 8.370 nan 0.000 0.579 765 D N 2.988 123.332 120.400 -0.092 0.000 2.158 765 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 765 D C 1.511 177.782 176.300 -0.049 0.000 0.995 765 D CA 2.022 55.977 54.000 -0.077 0.000 0.846 765 D CB -0.095 40.671 40.800 -0.056 0.000 0.941 765 D HN 0.600 nan 8.370 nan 0.000 0.456 766 N N -0.985 117.692 118.700 -0.038 0.000 2.272 766 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 766 N C 1.667 177.174 175.510 -0.005 0.000 1.014 766 N CA 1.152 54.192 53.050 -0.017 0.000 0.870 766 N CB -0.015 38.464 38.487 -0.013 0.000 0.975 766 N HN 0.431 nan 8.380 nan 0.000 0.433 767 I N -2.219 118.341 120.570 -0.016 0.000 4.139 767 I HA 0.083 4.253 4.170 -0.000 0.000 0.335 767 I C 1.665 177.792 176.117 0.018 0.000 1.327 767 I CA -0.193 61.112 61.300 0.009 0.000 1.112 767 I CB 0.156 38.164 38.000 0.014 0.000 1.058 767 I HN -0.172 nan 8.210 nan 0.000 0.396 768 V N -0.502 119.383 119.914 -0.047 0.000 2.261 768 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 768 V C 1.740 177.913 176.094 0.132 0.000 1.047 768 V CA 1.376 63.636 62.300 -0.068 0.000 1.015 768 V CB -1.046 30.602 31.823 -0.292 0.000 0.642 768 V HN 0.387 nan 8.190 nan 0.000 0.446 769 K N 0.507 120.956 120.400 0.083 0.000 2.143 769 K HA 0.149 4.469 4.320 -0.000 0.000 0.239 769 K C 0.815 177.469 176.600 0.091 0.000 1.048 769 K CA 1.070 57.415 56.287 0.096 0.000 0.867 769 K CB -0.285 32.252 32.500 0.062 0.000 1.088 769 K HN 0.624 nan 8.250 nan 0.000 0.510 770 N N -1.427 117.322 118.700 0.083 0.000 2.805 770 N HA -0.262 4.478 4.740 -0.000 0.000 0.216 770 N C 0.980 176.553 175.510 0.104 0.000 0.930 770 N CA 1.377 54.474 53.050 0.080 0.000 1.376 770 N CB -1.137 37.389 38.487 0.065 0.000 0.939 770 N HN 0.371 nan 8.380 nan 0.000 0.583 771 I N 0.860 121.522 120.570 0.152 0.000 2.118 771 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 771 I C -0.579 175.626 176.117 0.146 0.000 1.070 771 I CA 2.116 63.534 61.300 0.197 0.000 1.327 771 I CB -2.145 36.058 38.000 0.338 0.000 1.034 771 I HN 0.144 nan 8.210 nan 0.000 0.405 772 P HA -0.152 nan 4.420 nan 0.000 0.214 772 P C 1.347 178.694 177.300 0.078 0.000 1.169 772 P CA 1.649 64.801 63.100 0.086 0.000 0.908 772 P CB -0.129 31.619 31.700 0.081 0.000 0.791 773 N N -0.801 117.938 118.700 0.064 0.000 2.094 773 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 773 N C 1.716 177.227 175.510 0.001 0.000 1.023 773 N CA 1.129 54.196 53.050 0.028 0.000 0.857 773 N CB -1.197 37.306 38.487 0.027 0.000 1.013 773 N HN 0.155 nan 8.380 nan 0.000 0.426 774 L N 0.152 121.398 121.223 0.037 0.000 2.046 774 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 774 L C 2.164 179.057 176.870 0.040 0.000 1.077 774 L CA 0.823 55.687 54.840 0.039 0.000 0.747 774 L CB -0.469 41.639 42.059 0.082 0.000 0.896 774 L HN 0.155 nan 8.230 nan 0.000 0.432 775 L N -0.186 121.077 121.223 0.066 0.000 2.017 775 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 775 L C 2.585 179.468 176.870 0.022 0.000 1.073 775 L CA 1.374 56.251 54.840 0.061 0.000 0.745 775 L CB -0.425 41.694 42.059 0.099 0.000 0.894 775 L HN 0.331 nan 8.230 nan 0.000 0.432 776 I N -1.382 119.195 120.570 0.012 0.000 2.394 776 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 776 I C 2.197 178.253 176.117 -0.102 0.000 1.136 776 I CA 1.526 62.807 61.300 -0.032 0.000 1.425 776 I CB -0.260 37.709 38.000 -0.050 0.000 1.079 776 I HN 0.067 nan 8.210 nan 0.000 0.425 777 I N 1.022 121.489 120.570 -0.172 0.000 2.252 777 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 777 I C 2.415 178.469 176.117 -0.104 0.000 1.102 777 I CA 1.828 62.922 61.300 -0.344 0.000 1.385 777 I CB -0.802 36.922 38.000 -0.461 0.000 1.064 777 I HN 0.297 nan 8.210 nan 0.000 0.414 778 T N 1.321 115.857 114.554 -0.029 0.000 2.652 778 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 778 T C 1.957 176.656 174.700 -0.002 0.000 1.039 778 T CA 1.382 63.496 62.100 0.025 0.000 1.153 778 T CB -0.409 68.460 68.868 0.001 0.000 0.863 778 T HN 0.221 nan 8.240 nan 0.000 0.428 779 L N 0.707 121.913 121.223 -0.027 0.000 2.046 779 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 779 L C 2.917 179.761 176.870 -0.044 0.000 1.077 779 L CA 0.949 55.769 54.840 -0.035 0.000 0.747 779 L CB -0.594 41.452 42.059 -0.022 0.000 0.896 779 L HN 0.228 nan 8.230 nan 0.000 0.432 780 S N -0.793 114.886 115.700 -0.035 0.000 2.365 780 S HA -0.251 4.219 4.470 -0.000 0.000 0.221 780 S C 2.156 176.695 174.600 -0.101 0.000 1.037 780 S CA 1.666 59.841 58.200 -0.041 0.000 1.060 780 S CB -0.593 62.678 63.200 0.118 0.000 0.974 780 S HN 0.468 nan 8.310 nan 0.000 0.427 781 C N 1.456 120.787 119.300 0.052 0.000 2.385 781 C HA -0.162 4.298 4.460 -0.000 0.000 0.275 781 C C 2.458 177.426 174.990 -0.037 0.000 1.207 781 C CA 0.840 59.907 59.018 0.082 0.000 1.760 781 C CB -1.597 26.323 27.740 0.301 0.000 2.051 781 C HN 0.559 nan 8.230 nan 0.000 0.467 782 I N 0.182 120.744 120.570 -0.013 0.000 2.179 782 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 782 I C 2.592 178.666 176.117 -0.072 0.000 1.088 782 I CA 1.911 63.196 61.300 -0.025 0.000 1.357 782 I CB -0.604 37.380 38.000 -0.026 0.000 1.051 782 I HN 0.255 nan 8.210 nan 0.000 0.409 783 S N 0.413 116.048 115.700 -0.109 0.000 2.515 783 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 783 S C 1.693 176.182 174.600 -0.186 0.000 0.987 783 S CA 0.826 58.952 58.200 -0.123 0.000 0.936 783 S CB -0.318 62.809 63.200 -0.121 0.000 0.766 783 S HN 0.388 nan 8.310 nan 0.000 0.528 784 N N 0.871 119.369 118.700 -0.335 0.000 2.368 784 N HA 0.108 4.848 4.740 -0.000 0.000 0.176 784 N C 1.579 176.935 175.510 -0.257 0.000 1.021 784 N CA 0.744 53.497 53.050 -0.494 0.000 0.888 784 N CB -0.202 37.473 38.487 -1.354 0.000 0.995 784 N HN 0.393 nan 8.380 nan 0.000 0.437 785 M N 0.789 120.288 119.600 -0.168 0.000 2.123 785 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 785 M C 2.161 178.462 176.300 0.002 0.000 1.069 785 M CA 0.939 56.227 55.300 -0.019 0.000 1.133 785 M CB -0.883 31.741 32.600 0.040 0.000 1.356 785 M HN 0.108 nan 8.290 nan 0.000 0.415 786 I N -1.810 118.758 120.570 -0.003 0.000 2.756 786 I HA -0.190 3.980 4.170 -0.000 0.000 0.262 786 I C 2.190 178.328 176.117 0.034 0.000 1.225 786 I CA 1.726 63.032 61.300 0.010 0.000 1.472 786 I CB -1.002 37.000 38.000 0.003 0.000 1.094 786 I HN 0.210 nan 8.210 nan 0.000 0.454 787 H N 1.384 120.412 119.070 -0.069 0.000 2.524 787 H HA 0.247 4.803 4.556 -0.000 0.000 0.282 787 H C 0.642 175.950 175.328 -0.034 0.000 1.016 787 H CA 0.459 56.470 56.048 -0.061 0.000 1.270 787 H CB -0.173 29.532 29.762 -0.094 0.000 1.394 787 H HN 0.416 nan 8.280 nan 0.000 0.568 788 I N 2.364 122.875 120.570 -0.098 0.000 2.243 788 I HA 0.057 4.227 4.170 -0.000 0.000 0.297 788 I C -0.591 175.482 176.117 -0.073 0.000 1.161 788 I CA -0.123 61.111 61.300 -0.110 0.000 1.298 788 I CB 0.285 38.272 38.000 -0.022 0.000 1.475 788 I HN 0.228 nan 8.210 nan 0.000 0.561 789 L N 1.761 122.922 121.223 -0.103 0.000 3.449 789 L HA 0.441 4.781 4.340 -0.000 0.000 0.347 789 L C -0.150 176.681 176.870 -0.065 0.000 1.333 789 L CA -0.667 54.138 54.840 -0.059 0.000 0.905 789 L CB -1.310 40.727 42.059 -0.037 0.000 1.348 789 L HN 0.181 nan 8.230 nan 0.000 0.611 799 K N 3.137 123.541 120.400 0.007 0.000 2.751 799 K HA 0.622 4.942 4.320 -0.000 0.000 0.252 799 K C 1.199 177.806 176.600 0.011 0.000 1.277 799 K CA -0.326 55.967 56.287 0.009 0.000 1.226 799 K CB -0.472 32.034 32.500 0.011 0.000 1.658 799 K HN 0.542 nan 8.250 nan 0.000 0.303 800 G N 0.491 109.296 108.800 0.008 0.000 3.234 800 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.221 800 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.221 800 G C 0.970 175.877 174.900 0.010 0.000 1.229 800 G CA -0.109 44.996 45.100 0.009 0.000 0.909 800 G HN 0.410 nan 8.290 nan 0.000 0.510 801 Q N -0.014 119.793 119.800 0.012 0.000 2.435 801 Q HA 0.063 4.403 4.340 -0.000 0.000 0.207 801 Q C 2.416 178.427 176.000 0.019 0.000 0.956 801 Q CA 0.910 56.722 55.803 0.014 0.000 0.917 801 Q CB -0.021 28.726 28.738 0.014 0.000 0.997 801 Q HN 0.636 nan 8.270 nan 0.000 0.497 802 Q N -0.382 119.431 119.800 0.021 0.000 2.062 802 Q HA 0.016 4.356 4.340 -0.000 0.000 0.196 802 Q C 0.623 176.640 176.000 0.028 0.000 0.967 802 Q CA 0.602 56.422 55.803 0.029 0.000 0.832 802 Q CB -0.211 28.546 28.738 0.031 0.000 0.899 802 Q HN 0.467 nan 8.270 nan 0.000 0.442 803 I N 1.368 121.950 120.570 0.020 0.000 2.993 803 I HA -0.113 4.057 4.170 -0.000 0.000 0.286 803 I C 0.378 176.503 176.117 0.012 0.000 1.215 803 I CA 0.785 62.094 61.300 0.015 0.000 1.393 803 I CB 0.656 38.661 38.000 0.010 0.000 1.371 803 I HN 0.444 nan 8.210 nan 0.000 0.602 804 D N 1.505 121.910 120.400 0.007 0.000 2.382 804 D HA -0.350 4.290 4.640 -0.000 0.000 0.163 804 D C 1.165 177.469 176.300 0.007 0.000 1.469 804 D CA 1.878 55.881 54.000 0.004 0.000 1.338 804 D CB -1.949 38.853 40.800 0.003 0.000 1.241 804 D HN 0.639 nan 8.370 nan 0.000 0.441 805 S N -1.163 114.546 115.700 0.016 0.000 2.371 805 S HA 0.032 4.502 4.470 -0.000 0.000 0.224 805 S C 1.897 176.511 174.600 0.024 0.000 1.029 805 S CA 1.160 59.375 58.200 0.024 0.000 0.978 805 S CB -0.283 62.939 63.200 0.036 0.000 0.833 805 S HN 0.323 nan 8.310 nan 0.000 0.466 806 L N 1.758 122.995 121.223 0.024 0.000 2.046 806 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 806 L C 2.385 179.248 176.870 -0.013 0.000 1.077 806 L CA 1.794 56.644 54.840 0.017 0.000 0.747 806 L CB -1.284 40.788 42.059 0.022 0.000 0.896 806 L HN 0.354 nan 8.230 nan 0.000 0.432 807 K N -0.441 119.953 120.400 -0.011 0.000 2.147 807 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 807 K C 1.844 178.425 176.600 -0.031 0.000 1.049 807 K CA 1.415 57.690 56.287 -0.020 0.000 0.936 807 K CB -0.058 32.435 32.500 -0.012 0.000 0.722 807 K HN 0.271 nan 8.250 nan 0.000 0.446 808 N N 0.636 119.321 118.700 -0.025 0.000 2.058 808 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 808 N C 1.549 177.020 175.510 -0.065 0.000 1.037 808 N CA 1.437 54.468 53.050 -0.031 0.000 0.848 808 N CB -0.182 38.298 38.487 -0.011 0.000 1.021 808 N HN -0.120 nan 8.380 nan 0.000 0.422 809 V N 0.964 120.822 119.914 -0.093 0.000 2.282 809 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 809 V C 2.495 178.457 176.094 -0.221 0.000 1.057 809 V CA 2.058 64.226 62.300 -0.220 0.000 1.032 809 V CB -1.444 30.196 31.823 -0.304 0.000 0.645 809 V HN 0.542 nan 8.190 nan 0.000 0.447 810 A N -0.450 122.284 122.820 -0.143 0.000 1.940 810 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 810 A C 2.332 179.868 177.584 -0.080 0.000 1.176 810 A CA 1.734 53.707 52.037 -0.107 0.000 0.631 810 A CB -0.455 18.505 19.000 -0.067 0.000 0.814 810 A HN 0.397 nan 8.150 nan 0.000 0.446 811 R N -0.330 120.129 120.500 -0.068 0.000 2.073 811 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 811 R C 2.298 178.571 176.300 -0.044 0.000 1.120 811 R CA 1.393 57.465 56.100 -0.046 0.000 0.967 811 R CB -0.740 29.540 30.300 -0.034 0.000 0.862 811 R HN 0.662 nan 8.270 nan 0.000 0.436 812 Q N -0.262 119.501 119.800 -0.062 0.000 2.119 812 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 812 Q C 2.396 178.379 176.000 -0.029 0.000 0.972 812 Q CA 1.180 56.954 55.803 -0.049 0.000 0.847 812 Q CB -0.731 27.962 28.738 -0.075 0.000 0.903 812 Q HN 0.284 nan 8.270 nan 0.000 0.433 813 C N 0.528 119.781 119.300 -0.079 0.000 2.425 813 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 813 C C 2.697 177.721 174.990 0.056 0.000 1.280 813 C CA 0.518 59.524 59.018 -0.021 0.000 1.744 813 C CB -0.700 26.976 27.740 -0.108 0.000 1.989 813 C HN 0.464 nan 8.230 nan 0.000 0.491 814 M N 0.188 119.787 119.600 -0.002 0.000 2.175 814 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 814 M C 1.929 178.215 176.300 -0.022 0.000 1.063 814 M CA 1.506 56.797 55.300 -0.016 0.000 1.119 814 M CB -1.157 31.426 32.600 -0.028 0.000 1.377 814 M HN 0.363 nan 8.290 nan 0.000 0.415 815 I N -1.563 119.006 120.570 -0.002 0.000 2.163 815 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 815 I C 1.383 177.502 176.117 0.005 0.000 1.081 815 I CA 0.417 61.713 61.300 -0.006 0.000 1.353 815 I CB -0.453 37.551 38.000 0.005 0.000 1.054 815 I HN 0.086 nan 8.210 nan 0.000 0.407 816 Y N 1.155 121.404 120.300 -0.085 0.000 2.469 816 Y HA 0.090 4.640 4.550 -0.000 0.000 0.353 816 Y C 1.233 177.051 175.900 -0.135 0.000 1.269 816 Y CA 0.232 58.270 58.100 -0.103 0.000 1.504 816 Y CB 0.438 38.848 38.460 -0.083 0.000 1.369 816 Y HN 0.289 nan 8.280 nan 0.000 0.654 817 A N 1.592 123.975 122.820 -0.727 0.000 1.467 817 A HA -0.360 3.960 4.320 -0.000 0.000 0.224 817 A C 2.006 179.361 177.584 -0.381 0.000 0.419 817 A CA 2.229 53.976 52.037 -0.484 0.000 1.100 817 A CB -2.715 16.178 19.000 -0.178 0.000 1.463 817 A HN 1.613 nan 8.150 nan 0.000 0.719 818 G N -1.261 107.383 108.800 -0.260 0.000 2.446 818 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 818 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 818 G C 1.424 176.153 174.900 -0.285 0.000 1.168 818 G CA 1.526 46.486 45.100 -0.235 0.000 0.771 818 G HN 0.763 nan 8.290 nan 0.000 0.551 819 M N -0.345 119.089 119.600 -0.276 0.000 2.686 819 M HA 0.326 4.806 4.480 -0.000 0.000 0.246 819 M C 1.169 177.247 176.300 -0.370 0.000 1.096 819 M CA 0.778 55.923 55.300 -0.258 0.000 1.076 819 M CB 0.267 32.757 32.600 -0.185 0.000 1.504 819 M HN 0.186 nan 8.290 nan 0.000 0.524 820 I N -0.663 119.601 120.570 -0.510 0.000 4.263 820 I HA -0.071 4.099 4.170 -0.000 0.000 0.335 820 I C 1.633 177.410 176.117 -0.566 0.000 1.389 820 I CA 0.087 61.000 61.300 -0.645 0.000 1.156 820 I CB 0.373 37.752 38.000 -1.035 0.000 1.510 820 I HN 0.262 nan 8.210 nan 0.000 0.566 821 Q N 0.594 120.029 119.800 -0.608 0.000 2.124 821 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 821 Q C 0.046 175.731 176.000 -0.525 0.000 0.977 821 Q CA 1.301 56.740 55.803 -0.606 0.000 0.850 821 Q CB -0.527 27.793 28.738 -0.697 0.000 0.901 821 Q HN 0.457 nan 8.270 nan 0.000 0.429 822 Y N -0.484 119.744 120.300 -0.119 0.000 2.408 822 Y HA 0.441 4.991 4.550 -0.000 0.000 0.324 822 Y C 0.725 176.591 175.900 -0.056 0.000 1.302 822 Y CA -1.384 56.674 58.100 -0.069 0.000 1.384 822 Y CB 0.692 39.124 38.460 -0.047 0.000 1.367 822 Y HN -0.119 nan 8.280 nan 0.000 0.525 823 R N -1.176 119.425 120.500 0.169 0.000 3.994 823 R HA -0.232 4.108 4.340 -0.000 0.000 0.403 823 R C -0.830 175.563 176.300 0.155 0.000 1.126 823 R CA 1.173 57.382 56.100 0.183 0.000 1.143 823 R CB -1.638 28.839 30.300 0.295 0.000 1.695 823 R HN 0.771 nan 8.270 nan 0.000 0.555 824 M N -0.175 119.461 119.600 0.060 0.000 2.501 824 M HA 0.441 4.921 4.480 -0.000 0.000 0.293 824 M C -2.406 173.913 176.300 0.033 0.000 1.192 824 M CA -2.148 53.168 55.300 0.026 0.000 0.886 824 M CB 2.134 34.682 32.600 -0.086 0.000 1.710 824 M HN -0.314 nan 8.290 nan 0.000 0.457 825 P HA 0.033 nan 4.420 nan 0.000 0.266 825 P C -1.310 175.995 177.300 0.009 0.000 1.193 825 P CA 0.176 63.296 63.100 0.033 0.000 0.770 825 P CB 0.268 31.993 31.700 0.042 0.000 0.836 826 R N 3.119 123.627 120.500 0.014 0.000 2.540 826 R HA 0.087 4.426 4.340 -0.000 0.000 0.317 826 R C 0.618 176.886 176.300 -0.053 0.000 1.233 826 R CA 0.487 56.584 56.100 -0.005 0.000 1.003 826 R CB -0.676 29.630 30.300 0.010 0.000 1.034 826 R HN 0.480 nan 8.270 nan 0.000 0.483 827 E N 1.640 121.770 120.200 -0.117 0.000 3.397 827 E HA 0.021 4.371 4.350 -0.000 0.000 0.380 827 E C -1.710 174.688 176.600 -0.336 0.000 0.989 827 E CA -0.497 55.758 56.400 -0.243 0.000 0.783 827 E CB 0.746 30.384 29.700 -0.103 0.000 1.334 827 E HN 0.427 nan 8.360 nan 0.000 0.457 828 T N 0.918 115.160 114.554 -0.519 0.000 2.901 828 T HA 0.738 5.088 4.350 -0.000 0.000 0.293 828 T C -0.697 173.563 174.700 -0.734 0.000 1.084 828 T CA -0.552 61.280 62.100 -0.447 0.000 1.008 828 T CB 1.365 70.074 68.868 -0.264 0.000 1.170 828 T HN 0.372 nan 8.240 nan 0.000 0.509 829 Y N -0.363 119.908 120.300 -0.047 0.000 2.598 829 Y HA 0.753 5.303 4.550 -0.000 0.000 0.340 829 Y C 0.530 176.406 175.900 -0.038 0.000 1.038 829 Y CA -0.508 57.570 58.100 -0.037 0.000 1.100 829 Y CB 2.843 41.285 38.460 -0.030 0.000 1.281 829 Y HN 1.011 nan 8.280 nan 0.000 0.488 830 S N -1.316 114.504 115.700 0.200 0.000 2.703 830 S HA 0.344 4.814 4.470 -0.000 0.000 0.273 830 S C -0.012 174.625 174.600 0.062 0.000 1.178 830 S CA -0.483 57.765 58.200 0.080 0.000 0.838 830 S CB 1.130 64.350 63.200 0.033 0.000 1.178 830 S HN 1.099 nan 8.310 nan 0.000 0.494 831 T N -1.470 113.098 114.554 0.024 0.000 8.709 831 T HA -0.237 4.113 4.350 -0.000 0.000 0.337 831 T C 0.876 175.568 174.700 -0.013 0.000 1.937 831 T CA 1.562 63.665 62.100 0.005 0.000 2.878 831 T CB -1.689 67.184 68.868 0.008 0.000 2.537 831 T HN 0.371 nan 8.240 nan 0.000 1.198 832 L N 0.766 121.980 121.223 -0.014 0.000 1.961 832 L HA 0.421 4.761 4.340 -0.000 0.000 0.209 832 L C 2.091 178.932 176.870 -0.049 0.000 1.075 832 L CA 1.403 56.217 54.840 -0.043 0.000 0.749 832 L CB -0.986 41.046 42.059 -0.046 0.000 0.890 832 L HN 0.601 nan 8.230 nan 0.000 0.433 833 I N 0.000 120.548 120.570 -0.037 0.000 2.984 833 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 833 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 833 I CB 0.000 37.983 38.000 -0.028 0.000 1.214 833 I HN 0.000 nan 8.210 nan 0.000 0.494